#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hgg s ASP 2 N 0.00 2.35 0.80 1.69 1.11 -1.26 -5.05 116.67 116.31 1hgg s ASP 2 Ca 0.00 1.75 -0.05 0.00 0.18 0.00 0.00 52.55 54.43 1hgg s ASP 2 Cb 0.00 -2.36 0.16 0.00 1.07 0.00 0.00 42.92 41.79 1hgg s ASP 2 CO 0.00 -3.39 1.10 -0.76 1.18 0.00 0.00 175.17 173.31 1hgg s LEU 3 N -6.73 2.89 -0.65 1.23 1.02 -1.26 -4.94 118.68 110.24 1hgg s LEU 3 Ca 0.66 -0.30 -0.33 0.00 0.02 0.00 0.00 54.13 54.18 1hgg s LEU 3 Cb -0.22 -1.88 -0.16 0.00 0.02 0.00 0.00 46.19 43.95 1hgg s LEU 3 CO 0.60 -2.19 2.43 -0.81 0.02 0.00 0.00 176.35 176.40 1hgg n PRO 4 N -3.13 0.47 -2.28 1.29 -0.04 -1.26 -4.87 135.00 125.19 1hgg n PRO 4 Ca 0.16 0.07 -0.33 0.00 -0.04 0.00 0.00 63.50 63.36 1hgg n PRO 4 Cb 0.60 -2.13 -0.04 0.00 -0.04 0.00 0.00 33.50 31.90 1hgg n PRO 4 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1hgg s GLY 5 N 8.73 0.70 0.20 0.55 0.00 -1.26 -4.83 107.32 111.40 1hgg s GLY 5 Ca 1.19 -1.98 -0.17 0.00 0.00 0.00 0.00 44.72 43.76 1hgg s GLY 5 CO 0.47 3.14 1.61 3.43 0.00 0.00 0.00 173.10 181.76 1hgg h ASN 6 N 10.23 -0.83 -3.02 1.64 2.35 -2.05 -3.39 115.58 120.52 1hgg h ASN 6 Ca 0.18 0.20 -0.61 0.00 -0.55 0.00 0.00 56.30 55.52 1hgg h ASN 6 Cb 0.99 0.46 -0.05 0.00 0.05 0.00 0.00 38.32 39.77 1hgg h ASN 6 CO 1.31 -0.26 -0.27 -0.62 -1.65 0.00 0.00 177.43 175.94 1hgg s ASP 7 N -5.19 6.65 -0.30 5.81 2.15 -1.26 -5.05 116.67 119.49 1hgg s ASP 7 Ca -0.14 0.78 -0.02 0.00 0.43 0.00 0.00 52.55 53.59 1hgg s ASP 7 Cb 0.17 -2.18 0.12 0.00 -0.30 0.00 0.00 42.92 40.74 1hgg s ASP 7 CO 0.71 0.24 0.22 0.54 -0.17 0.00 0.00 175.17 176.71 1hgg s ASN 8 N -1.53 2.60 0.31 -0.34 2.20 -1.26 -5.13 114.94 111.80 1hgg s ASN 8 Ca 0.29 -1.11 0.02 0.00 -0.94 0.00 0.00 52.86 51.11 1hgg s ASN 8 Cb -0.14 0.06 0.02 0.00 -2.00 0.00 0.00 41.25 39.19 1hgg s ASN 8 CO 0.16 -0.40 0.19 -1.54 -2.94 0.00 0.00 177.10 172.56 1hgg n SER 9 N 5.18 2.15 -4.20 3.54 3.41 -1.26 -5.17 113.62 117.27 1hgg n SER 9 Ca -0.03 -2.12 -0.22 0.00 -0.26 0.00 0.00 58.87 56.24 1hgg n SER 9 Cb 0.44 0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.31 1hgg n SER 9 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1hgg s THR 10 N -1.65 0.68 0.16 6.66 -4.23 -1.26 -5.18 115.64 110.83 1hgg s THR 10 Ca 0.15 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1hgg s THR 10 Cb -0.01 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1hgg s THR 10 CO 0.09 0.00 0.05 0.00 -0.54 0.00 0.00 174.62 174.23 1hgg s ALA 11 N -3.39 1.11 -0.03 3.99 0.00 -1.26 -5.16 121.76 117.02 1hgg s ALA 11 Ca 0.32 -1.57 0.04 0.00 0.00 0.00 0.00 51.96 50.74 1hgg s ALA 11 Cb 0.05 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 1hgg s ALA 11 CO 0.15 -0.45 -0.13 0.99 0.00 0.00 0.00 175.76 176.32 1hgg s THR 12 N -3.93 1.09 -0.09 0.00 2.01 -1.26 -5.12 115.64 108.34 1hgg s THR 12 Ca 0.27 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1hgg s THR 12 Cb 0.07 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1hgg s THR 12 CO 0.05 0.32 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.93 1hgg s LEU 13 N -0.02 1.73 -0.05 4.42 2.96 -1.26 -5.14 118.68 121.33 1hgg s LEU 13 Ca -0.01 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1hgg s LEU 13 Cb -0.09 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.59 1hgg s LEU 13 CO 0.01 0.05 -0.23 0.00 -1.32 0.00 0.00 176.35 174.85 1hgg s LEU 15 N -0.21 4.30 0.00 0.00 1.02 -1.26 -5.09 118.68 117.45 1hgg s LEU 15 Ca -0.01 0.38 -0.09 0.00 0.02 0.00 0.00 54.13 54.43 1hgg s LEU 15 Cb -0.12 -3.10 0.03 0.00 0.02 0.00 0.00 46.19 43.02 1hgg s LEU 15 CO 0.02 0.07 0.47 0.61 0.02 0.00 0.00 176.35 177.54 1hgg n GLY 16 N -0.09 1.39 3.18 -3.19 0.00 -1.26 -5.18 105.19 100.04 1hgg n GLY 16 Ca -0.04 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1hgg n GLY 16 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hgg s HIS 17 N -4.97 0.93 1.12 1.61 -3.43 -1.26 -5.16 115.29 104.13 1hgg s HIS 17 Ca 0.09 -0.98 -0.16 0.00 -0.80 0.00 0.00 55.06 53.21 1hgg s HIS 17 Cb -0.03 -0.54 0.25 0.00 -1.43 0.00 0.00 32.58 30.82 1hgg s HIS 17 CO 0.07 -0.21 1.10 -3.38 -2.00 0.00 0.00 174.74 170.32 1hgg s HIS 18 N -3.69 1.18 -0.02 0.38 -3.43 -1.26 -5.09 115.29 103.36 1hgg s HIS 18 Ca 0.15 0.70 -0.25 0.00 -0.80 0.00 0.00 55.06 54.87 1hgg s HIS 18 Cb 0.06 -3.37 0.05 0.00 -1.43 0.00 0.00 32.58 27.89 1hgg s HIS 18 CO -0.03 -3.49 0.54 0.00 -2.00 0.00 0.00 174.74 169.77 1hgg s ALA 19 N -2.99 -1.40 0.17 -1.38 0.00 -1.26 -4.75 121.76 110.16 1hgg s ALA 19 Ca 0.69 0.87 0.10 0.00 0.00 0.00 0.00 51.96 53.62 1hgg s ALA 19 Cb -0.14 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1hgg s ALA 19 CO 0.57 -0.38 -0.20 0.14 0.00 0.00 0.00 175.76 175.89 1hgg s VAL 20 N -1.55 2.60 0.13 0.00 -7.23 -1.26 -5.02 120.40 108.07 1hgg s VAL 20 Ca -0.10 -1.85 -0.13 0.00 -1.81 0.00 0.00 61.98 58.08 1hgg s VAL 20 Cb -0.02 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1hgg s VAL 20 CO 0.05 -0.07 1.48 1.55 -0.31 0.00 0.00 175.10 177.81 1hgg h PRO 21 N 3.26 0.82 0.00 4.82 0.13 -2.02 -3.40 132.00 135.61 1hgg h PRO 21 Ca -0.47 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1hgg h PRO 21 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1hgg h PRO 21 CO 0.48 1.01 0.00 0.27 -0.23 0.00 0.00 178.00 179.54 1hgg n ASN 22 N -4.22 0.00 0.00 1.44 6.94 -1.26 -5.06 115.26 113.10 1hgg n ASN 22 Ca -0.02 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 1hgg n ASN 22 Cb 0.45 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 1hgg n ASN 22 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hgg n GLY 23 N 1.97 -1.90 2.94 4.83 0.00 -1.26 -5.03 105.19 106.74 1hgg n GLY 23 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 1hgg n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hgg s THR 24 N -2.84 0.01 0.10 2.61 2.01 0.11 -4.92 115.64 112.72 1hgg s THR 24 Ca 0.00 -0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.64 1hgg s THR 24 Cb 0.00 -0.11 -0.07 0.00 0.01 0.00 0.00 72.50 72.33 1hgg s THR 24 CO 0.00 -0.06 0.73 -0.76 -0.69 0.00 0.00 174.62 173.84 1hgg s LEU 25 N -0.17 4.53 0.20 4.42 1.43 -1.26 -0.33 118.68 127.50 1hgg s LEU 25 Ca -0.02 1.50 0.04 0.00 -1.03 0.00 0.00 54.13 54.62 1hgg s LEU 25 Cb -0.02 -3.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 1hgg s LEU 25 CO 0.00 0.15 -0.05 0.68 0.23 0.00 0.00 176.35 177.36 1hgg s VAL 26 N -0.73 1.16 0.36 -1.59 -7.23 0.55 -4.87 120.40 108.05 1hgg s VAL 26 Ca 0.35 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1hgg s VAL 26 Cb -0.21 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 1hgg s VAL 26 CO 0.24 -0.49 0.64 -0.54 -0.31 0.00 0.00 175.10 174.64 1hgg s LYS 27 N -3.80 3.61 0.31 4.82 1.02 -1.25 -1.18 119.74 123.27 1hgg s LYS 27 Ca 0.24 0.07 0.05 0.00 0.02 0.00 0.00 55.97 56.34 1hgg s LYS 27 Cb 0.04 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1hgg s LYS 27 CO 0.06 0.06 0.28 0.99 -0.92 0.00 0.00 175.35 175.81 1hgg s THR 28 N -2.33 0.00 0.08 2.17 2.01 0.13 -4.95 115.64 112.76 1hgg s THR 28 Ca 0.45 -1.96 -0.17 0.00 0.31 0.00 0.00 61.69 60.33 1hgg s THR 28 Cb -0.10 -2.51 -0.09 0.00 0.01 0.00 0.00 72.50 69.80 1hgg s THR 28 CO 0.35 0.00 1.42 0.40 -0.69 0.00 0.00 174.62 176.10 1hgg h ILE 29 N 2.21 1.31 0.00 1.82 1.08 -2.02 -3.36 117.51 118.55 1hgg h ILE 29 Ca -0.27 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 1hgg h ILE 29 Cb 1.24 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 1hgg h ILE 29 CO 0.39 0.41 -1.28 0.35 -0.69 0.00 0.00 178.15 177.34 1hgg n THR 30 N -4.40 0.05 -4.09 -0.27 -2.24 -1.26 -4.98 114.28 97.10 1hgg n THR 30 Ca -0.04 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.45 1hgg n THR 30 Cb 0.40 0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 69.00 1hgg n THR 30 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1hgg s ASP 31 N -3.70 0.58 0.00 3.42 1.01 -1.26 -5.07 116.67 111.65 1hgg s ASP 31 Ca 0.02 -0.93 0.03 0.00 0.71 0.00 0.00 52.55 52.38 1hgg s ASP 31 Cb 0.15 0.17 0.01 0.00 1.01 0.00 0.00 42.92 44.25 1hgg s ASP 31 CO 0.86 -0.53 0.43 -0.90 0.21 0.00 0.00 175.17 175.24 1hgg n ASP 32 N 0.30 0.87 -3.69 0.27 5.75 -1.26 0.22 116.55 119.01 1hgg n ASP 32 Ca -0.15 -0.94 -0.29 0.00 -0.01 0.00 0.00 54.79 53.40 1hgg n ASP 32 Cb 0.60 0.33 -0.16 0.00 -1.03 0.00 0.00 41.12 40.87 1hgg n ASP 32 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1hgg s GLN 33 N -0.58 0.56 0.00 0.11 -0.21 -1.24 -3.88 119.66 114.42 1hgg s GLN 33 Ca 0.03 -0.70 0.07 0.00 0.02 0.00 0.00 55.36 54.78 1hgg s GLN 33 Cb 0.02 -1.84 -0.02 0.00 1.00 0.00 0.00 33.01 32.17 1hgg s GLN 33 CO 0.06 -0.87 -0.23 -1.50 -2.12 0.00 0.00 175.29 170.63 1hgg s ILE 34 N 1.82 1.84 -0.11 1.08 1.10 -0.33 -4.88 121.20 121.73 1hgg s ILE 34 Ca 0.06 -1.09 -0.16 0.00 -0.51 0.00 0.00 60.65 58.95 1hgg s ILE 34 Cb -0.17 -1.55 -0.05 0.00 0.15 0.00 0.00 42.46 40.85 1hgg s ILE 34 CO -0.22 0.44 0.39 -0.70 -2.11 0.00 0.00 174.94 172.74 1hgg s GLU 35 N -0.77 4.20 0.25 3.50 2.12 -1.26 -0.33 118.70 126.42 1hgg s GLU 35 Ca 0.09 0.31 0.10 0.00 0.36 0.00 0.00 54.97 55.83 1hgg s GLU 35 Cb -0.09 -3.38 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 1hgg s GLU 35 CO 0.00 0.31 -0.17 0.14 -0.54 0.00 0.00 175.26 175.00 1hgg s VAL 36 N 0.17 2.15 0.31 3.70 -7.23 0.55 -1.81 120.40 118.24 1hgg s VAL 36 Ca 0.22 -2.32 0.08 0.00 -1.81 0.00 0.00 61.98 58.16 1hgg s VAL 36 Cb -0.15 -2.21 0.31 0.00 0.56 0.00 0.00 36.38 34.89 1hgg s VAL 36 CO 0.09 -0.47 1.71 0.74 -0.31 0.00 0.00 175.10 176.86 1hgg h THR 37 N 2.38 0.49 -1.78 5.32 2.02 -1.39 0.33 112.91 120.28 1hgg h THR 37 Ca -0.39 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 66.67 1hgg h THR 37 Cb 1.24 -0.05 -0.21 0.00 -1.74 0.00 0.00 68.15 67.39 1hgg h THR 37 CO 0.61 0.09 0.45 0.21 0.37 0.00 0.00 175.52 177.25 1hgg s ASN 38 N -5.16 -0.44 0.27 4.18 2.47 -1.26 -4.41 114.94 110.59 1hgg s ASN 38 Ca -0.11 0.43 -0.02 0.00 0.42 0.00 0.00 52.86 53.57 1hgg s ASN 38 Cb 0.27 0.37 -0.02 0.00 -1.45 0.00 0.00 41.25 40.42 1hgg s ASN 38 CO 0.79 -0.45 0.31 0.00 -3.72 0.00 0.00 177.10 174.03 1hgg s ALA 39 N -1.41 0.91 0.02 1.71 0.00 -1.26 -1.02 121.76 120.72 1hgg s ALA 39 Ca -0.03 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.38 1hgg s ALA 39 Cb -0.00 1.28 -0.02 0.00 0.00 0.00 0.00 23.12 24.38 1hgg s ALA 39 CO 0.02 -0.71 -0.05 -0.08 0.00 0.00 0.00 175.76 174.95 1hgg s THR 40 N -3.73 0.31 -0.02 0.00 -1.32 0.43 -4.76 115.64 106.55 1hgg s THR 40 Ca 0.34 -0.74 -0.22 0.00 -1.21 0.00 0.00 61.69 59.85 1hgg s THR 40 Cb 0.03 -0.38 -0.05 0.00 -1.51 0.00 0.00 72.50 70.59 1hgg s THR 40 CO 0.16 -0.29 0.66 -0.70 -2.21 0.00 0.00 174.62 172.24 1hgg s GLU 41 N -1.10 4.39 0.00 7.08 2.56 -1.26 -0.21 118.70 130.17 1hgg s GLU 41 Ca -0.09 0.83 0.15 0.00 0.00 0.00 0.00 54.97 55.86 1hgg s GLU 41 Cb -0.07 -3.38 -0.01 0.00 2.00 0.00 0.00 34.13 32.67 1hgg s GLU 41 CO -0.00 0.25 0.80 1.28 -0.56 0.00 0.00 175.26 177.02 1hgg n LEU 42 N 3.11 1.51 -4.34 2.70 4.77 0.15 -4.89 117.00 120.01 1hgg n LEU 42 Ca -0.04 -0.76 -0.37 0.00 -0.03 0.00 0.00 56.01 54.80 1hgg n LEU 42 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 1hgg n LEU 42 CO 0.45 0.29 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.85 1hgg s VAL 43 N -1.76 3.97 -0.13 4.08 1.01 -1.26 -1.97 120.40 124.34 1hgg s VAL 43 Ca 0.12 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 1hgg s VAL 43 Cb 0.12 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1hgg s VAL 43 CO 0.37 0.03 1.19 -1.58 0.00 0.00 0.00 175.10 175.11 1hgg s GLN 44 N 1.49 4.29 -0.11 2.72 2.00 0.67 -4.86 119.66 125.86 1hgg s GLN 44 Ca 0.02 1.60 0.15 0.00 -2.00 0.00 0.00 55.36 55.13 1hgg s GLN 44 Cb -0.18 -3.66 0.34 0.00 0.80 0.00 0.00 33.01 30.31 1hgg s GLN 44 CO 0.03 -0.58 1.16 -1.13 -0.50 0.00 0.00 175.29 174.27 1hgg n SER 45 N 5.97 1.41 -3.64 6.67 3.41 -1.26 -0.80 113.62 125.38 1hgg n SER 45 Ca 0.12 -2.96 -0.10 0.00 -0.26 0.00 0.00 58.87 55.66 1hgg n SER 45 Cb 0.46 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1hgg n SER 45 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1hgg s SER 46 N -2.52 -0.81 0.30 4.04 1.04 -1.26 -4.77 113.70 109.71 1hgg s SER 46 Ca 0.30 1.43 0.04 0.00 0.48 0.00 0.00 55.95 58.21 1hgg s SER 46 Cb 0.31 1.40 -0.02 0.00 0.10 0.00 0.00 66.02 67.80 1hgg s SER 46 CO -0.07 -0.24 0.45 -0.55 0.98 0.00 0.00 173.24 173.81 1hgg s SER 47 N 0.93 6.20 0.52 7.02 0.15 -1.26 -4.81 113.70 122.45 1hgg s SER 47 Ca -0.04 0.11 0.30 0.00 0.70 0.00 0.00 55.95 57.02 1hgg s SER 47 Cb -0.05 -1.73 1.06 0.00 -1.71 0.00 0.00 66.02 63.59 1hgg s SER 47 CO -0.09 -0.25 1.87 0.71 1.20 0.00 0.00 173.24 176.69 1hgg h THR 48 N 0.96 0.00 0.00 6.45 1.35 -1.69 -3.47 112.91 116.52 1hgg h THR 48 Ca -0.50 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1hgg h THR 48 Cb 1.24 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1hgg h THR 48 CO 0.59 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1hgg n GLY 49 N 0.35 0.78 2.99 5.82 0.00 -1.23 -4.98 105.19 108.92 1hgg n GLY 49 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1hgg n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hgg s LYS 50 N -0.36 0.42 -0.38 1.61 1.02 -1.26 -4.21 119.74 116.59 1hgg s LYS 50 Ca 0.00 -0.38 -0.22 0.00 0.02 0.00 0.00 55.97 55.39 1hgg s LYS 50 Cb 0.00 -0.32 0.01 0.00 -0.52 0.00 0.00 37.83 37.00 1hgg s LYS 50 CO 0.00 0.08 0.73 0.42 -0.92 0.00 0.00 175.35 175.66 1hgg s ILE 51 N -0.59 4.78 0.24 2.17 1.01 0.71 -0.62 121.20 128.89 1hgg s ILE 51 Ca -0.03 0.69 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 1hgg s ILE 51 Cb -0.05 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 1hgg s ILE 51 CO -0.00 -0.44 1.30 0.00 0.00 0.00 0.00 174.94 175.80 1hgg n ASN 53 N 2.10 2.66 -3.62 0.00 6.94 0.90 -4.78 115.26 119.46 1hgg n ASN 53 Ca 0.04 -2.32 -0.15 0.00 -0.02 0.00 0.00 54.58 52.13 1hgg n ASN 53 Cb 0.42 -0.57 -0.07 0.00 -2.36 0.00 0.00 39.78 37.21 1hgg n ASN 53 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1hgg s ASN 54 N 0.05 -0.67 0.00 0.53 3.84 -1.16 -4.59 114.94 112.94 1hgg s ASN 54 Ca 0.15 1.14 0.30 0.00 0.21 0.00 0.00 52.86 54.66 1hgg s ASN 54 Cb 0.12 1.12 1.47 0.00 -0.55 0.00 0.00 41.25 43.41 1hgg s ASN 54 CO 0.04 -0.33 2.00 -0.81 -2.79 0.00 0.00 177.10 175.20 1hgg n PRO 55 N 2.23 0.77 -2.91 0.43 -0.04 -1.26 -0.22 135.00 134.01 1hgg n PRO 55 Ca -0.15 -0.17 -0.24 0.00 -0.04 0.00 0.00 63.50 62.90 1hgg n PRO 55 Cb 0.56 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 1hgg n PRO 55 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1hgg s HIS 56 N -2.34 3.34 -0.67 0.54 3.76 -1.26 -5.01 115.29 113.65 1hgg s HIS 56 Ca 0.34 0.41 -0.24 0.00 -0.15 0.00 0.00 55.06 55.43 1hgg s HIS 56 Cb 0.21 -2.30 0.06 0.00 1.11 0.00 0.00 32.58 31.66 1hgg s HIS 56 CO 0.43 -0.32 1.03 0.50 -0.85 0.00 0.00 174.74 175.53 1hgg s ARG 57 N -4.61 3.15 -0.14 1.40 3.52 -1.26 -4.87 118.95 116.14 1hgg s ARG 57 Ca 0.47 -0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 55.22 1hgg s ARG 57 Cb -0.10 -4.20 -0.03 0.00 -1.56 0.00 0.00 34.95 29.05 1hgg s ARG 57 CO 0.40 -1.86 0.59 0.42 -0.81 0.00 0.00 175.30 174.04 1hgg s ILE 58 N 4.42 5.09 -0.33 4.11 1.09 -1.26 -0.58 121.20 133.74 1hgg s ILE 58 Ca 0.26 1.16 -0.07 0.00 -1.10 0.00 0.00 60.65 60.90 1hgg s ILE 58 Cb -0.15 -3.92 0.02 0.00 -1.06 0.00 0.00 42.46 37.36 1hgg s ILE 58 CO 0.12 0.22 0.11 -0.22 -0.10 0.00 0.00 174.94 175.07 1hgg s LEU 59 N 1.19 4.17 -0.14 2.97 2.96 -0.21 -4.97 118.68 124.67 1hgg s LEU 59 Ca 0.30 -0.94 -0.29 0.00 -0.22 0.00 0.00 54.13 52.98 1hgg s LEU 59 Cb -0.16 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1hgg s LEU 59 CO 0.12 -0.28 1.01 -0.62 -1.32 0.00 0.00 176.35 175.27 1hgg s ASP 60 N 1.47 7.21 0.00 3.68 -1.08 -1.26 -1.19 116.67 125.50 1hgg s ASP 60 Ca 0.01 1.49 0.24 0.00 -0.52 0.00 0.00 52.55 53.77 1hgg s ASP 60 Cb -0.18 -2.55 1.10 0.00 -1.46 0.00 0.00 42.92 39.83 1hgg s ASP 60 CO 0.03 -0.50 1.78 0.61 0.52 0.00 0.00 175.17 177.61 1hgg n GLY 61 N 3.15 -1.21 7.00 2.66 0.00 -0.42 -4.92 105.19 111.44 1hgg n GLY 61 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hgg n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hgg n ILE 62 N -1.41 0.00 -1.27 -0.61 2.08 -1.26 -1.25 119.36 115.64 1hgg n ILE 62 Ca 0.08 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 63.22 1hgg n ILE 62 Cb 0.24 0.00 0.20 0.00 -0.75 0.00 0.00 39.64 39.33 1hgg n ILE 62 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1hgg n ASP 63 N 3.99 3.53 -4.44 4.38 5.68 -1.26 -4.26 116.55 124.17 1hgg n ASP 63 Ca 0.00 -3.61 -0.32 0.00 -0.50 0.00 0.00 54.79 50.36 1hgg n ASP 63 Cb 0.00 -0.78 -0.14 0.00 -1.14 0.00 0.00 41.12 39.07 1hgg n ASP 63 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1hgg s THR 65 N -0.67 3.88 0.21 0.00 -4.23 -1.26 -4.66 115.64 108.91 1hgg s THR 65 Ca 0.10 0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 60.57 1hgg s THR 65 Cb -0.11 -3.53 0.16 0.00 1.34 0.00 0.00 72.50 70.36 1hgg s THR 65 CO 0.00 -0.54 1.84 0.25 -0.54 0.00 0.00 174.62 175.64 1hgg h LEU 66 N -0.11 0.94 -0.79 4.79 5.85 -1.96 -1.72 115.31 122.32 1hgg h LEU 66 Ca -0.46 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.18 1hgg h LEU 66 Cb 1.25 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1hgg h LEU 66 CO 0.61 0.75 0.48 0.40 -0.34 0.00 0.00 178.44 180.33 1hgg h ILE 67 N 1.06 1.22 -0.55 4.05 1.08 -1.95 0.09 117.51 122.51 1hgg h ILE 67 Ca 0.28 -0.47 -0.06 0.00 -0.39 0.00 0.00 64.86 64.21 1hgg h ILE 67 Cb -0.01 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 33.83 1hgg h ILE 67 CO -0.05 0.23 0.08 0.44 -0.69 0.00 0.00 178.15 178.16 1hgg h ASP 68 N 1.08 0.84 -0.81 1.72 3.32 -1.89 0.12 116.42 120.80 1hgg h ASP 68 Ca 0.28 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1hgg h ASP 68 Cb -0.05 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 1hgg h ASP 68 CO -0.05 0.85 0.41 0.00 -1.72 0.00 0.00 179.24 178.73 1hgg h ALA 69 N 1.25 1.19 0.21 3.45 0.00 -0.51 0.70 119.26 125.55 1hgg h ALA 69 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1hgg h ALA 69 Cb 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hgg h ALA 69 CO 0.01 0.63 -0.10 1.25 0.00 0.00 0.00 179.25 181.04 1hgg h LEU 70 N 1.15 -0.24 -1.04 0.00 5.85 -0.07 -3.18 115.31 117.79 1hgg h LEU 70 Ca 0.28 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1hgg h LEU 70 Cb 0.08 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1hgg h LEU 70 CO -0.04 0.10 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.05 1hgg h LEU 71 N -0.60 0.61 -0.23 2.25 3.38 -0.68 -3.44 115.31 116.60 1hgg h LEU 71 Ca -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1hgg h LEU 71 Cb 0.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1hgg h LEU 71 CO 0.05 0.71 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1hgg n GLY 72 N -0.69 0.77 3.66 0.83 0.00 0.20 -1.95 105.19 108.00 1hgg n GLY 72 Ca 0.02 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.48 1hgg n GLY 72 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hgg n ASP 73 N 0.06 2.71 -0.36 1.61 -0.08 -0.98 -0.83 116.55 118.68 1hgg n ASP 73 Ca 0.00 1.11 0.03 0.00 -1.51 0.00 0.00 54.79 54.43 1hgg n ASP 73 Cb 0.08 -1.39 0.10 0.00 2.34 0.00 0.00 41.12 42.25 1hgg n ASP 73 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1hgg n PRO 74 N 2.71 -0.14 0.00 -0.67 -0.02 -1.26 -0.15 135.00 135.47 1hgg n PRO 74 Ca 0.15 1.50 0.07 0.00 -2.02 0.00 0.00 63.50 63.20 1hgg n PRO 74 Cb 0.28 -2.24 0.33 0.00 -0.02 0.00 0.00 33.50 31.85 1hgg n PRO 74 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1hgg n HIS 75 N -5.52 0.00 -0.58 6.00 1.44 -1.26 -0.90 115.22 114.40 1hgg n HIS 75 Ca 0.13 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.93 1hgg n HIS 75 Cb 0.45 -0.44 0.28 0.00 0.12 0.00 0.00 29.99 30.40 1hgg n HIS 75 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1hgg h ASP 77 N 3.03 0.00 -0.97 0.00 3.32 -0.98 -1.62 116.42 119.20 1hgg h ASP 77 Ca 0.00 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.22 1hgg h ASP 77 Cb 1.24 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.70 1hgg h ASP 77 CO 0.16 0.00 0.61 0.58 -1.72 0.00 0.00 179.24 178.87 1hgg h VAL 78 N 0.00 0.76 -0.09 -1.35 2.07 -1.83 -2.98 116.25 112.83 1hgg h VAL 78 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1hgg h VAL 78 Cb 0.13 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1hgg h VAL 78 CO 0.00 0.13 0.00 0.49 0.02 0.00 0.00 177.57 178.21 1hgg n PHE 79 N -4.65 0.12 -1.93 1.57 3.72 -0.61 -4.91 117.46 110.77 1hgg n PHE 79 Ca 0.21 -0.06 -0.41 0.00 -0.05 0.00 0.00 57.45 57.14 1hgg n PHE 79 Cb 0.54 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 1hgg n PHE 79 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1hgg s GLN 80 N -1.88 4.22 -1.81 -1.08 -0.21 -1.13 -1.38 119.66 116.39 1hgg s GLN 80 Ca 0.18 2.41 0.00 0.00 0.02 0.00 0.00 55.36 57.97 1hgg s GLN 80 Cb 0.09 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 31.04 1hgg s GLN 80 CO 0.14 -0.46 0.00 0.09 -2.12 0.00 0.00 175.29 172.94 1hgg n ASN 81 N 1.81 -5.40 -4.80 5.90 4.13 -1.17 -4.97 115.26 110.76 1hgg n ASN 81 Ca 0.05 0.42 -0.30 0.00 1.68 0.00 0.00 54.58 56.44 1hgg n ASN 81 Cb 0.39 -4.51 0.10 0.00 -1.54 0.00 0.00 39.78 34.23 1hgg n ASN 81 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1hgg s GLU 82 N -3.43 1.83 0.14 3.52 0.41 -0.48 -4.48 118.70 116.20 1hgg s GLU 82 Ca 0.00 0.56 -0.03 0.00 -0.41 0.00 0.00 54.97 55.10 1hgg s GLU 82 Cb 0.00 -1.89 -0.03 0.00 -1.78 0.00 0.00 34.13 30.42 1hgg s GLU 82 CO 0.00 -1.78 0.11 0.95 -0.49 0.00 0.00 175.26 174.04 1hgg s THR 83 N -3.17 0.09 -0.03 3.63 -4.23 -1.26 -1.38 115.64 109.29 1hgg s THR 83 Ca 0.62 -1.80 -0.29 0.00 -1.18 0.00 0.00 61.69 59.04 1hgg s THR 83 Cb -0.15 -2.00 0.10 0.00 1.34 0.00 0.00 72.50 71.80 1hgg s THR 83 CO 0.54 -0.43 0.89 -1.66 -0.54 0.00 0.00 174.62 173.42 1hgg s TRP 84 N -4.03 -0.37 -0.11 3.99 -2.14 -0.96 -4.80 118.94 110.52 1hgg s TRP 84 Ca 0.23 0.34 0.13 0.00 2.66 0.00 0.00 56.10 59.45 1hgg s TRP 84 Cb 0.07 0.52 -0.24 0.00 -3.10 0.00 0.00 33.47 30.72 1hgg s TRP 84 CO 0.01 -0.52 0.41 -0.25 -2.66 0.00 0.00 176.95 173.94 1hgg n ASP 85 N -0.01 0.68 -3.51 -2.66 8.00 0.25 -4.67 116.55 114.63 1hgg n ASP 85 Ca -0.10 0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.52 1hgg n ASP 85 Cb 0.61 0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 41.84 1hgg n ASP 85 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1hgg s LEU 86 N -5.95 -0.40 -0.17 0.64 2.96 -0.86 -1.66 118.68 113.24 1hgg s LEU 86 Ca -0.09 0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.91 1hgg s LEU 86 Cb 0.07 0.83 -0.03 0.00 0.50 0.00 0.00 46.19 47.57 1hgg s LEU 86 CO 0.82 -0.28 0.64 0.12 -1.32 0.00 0.00 176.35 176.32 1hgg s PHE 87 N 2.46 3.43 -0.24 5.38 2.19 -0.57 -1.04 117.98 129.58 1hgg s PHE 87 Ca 0.06 1.00 -0.13 0.00 0.33 0.00 0.00 56.93 58.18 1hgg s PHE 87 Cb -0.14 -2.79 -0.04 0.00 -1.31 0.00 0.00 43.02 38.74 1hgg s PHE 87 CO -0.12 -0.10 0.29 0.08 1.83 0.00 0.00 175.22 177.20 1hgg s VAL 88 N 1.60 5.26 -0.17 3.12 1.01 -0.33 -0.65 120.40 130.24 1hgg s VAL 88 Ca 0.30 0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.61 1hgg s VAL 88 Cb -0.16 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1hgg s VAL 88 CO 0.12 0.25 0.17 -1.61 0.00 0.00 0.00 175.10 174.03 1hgg s GLU 89 N 1.53 4.02 0.11 2.72 2.02 0.15 -1.30 118.70 127.94 1hgg s GLU 89 Ca 0.13 -0.11 0.01 0.00 0.02 0.00 0.00 54.97 55.02 1hgg s GLU 89 Cb -0.15 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 1hgg s GLU 89 CO 0.08 0.41 0.25 1.03 0.02 0.00 0.00 175.26 177.05 1hgg s ARG 90 N 0.01 3.44 0.57 1.61 1.81 -1.26 -2.09 118.95 123.03 1hgg s ARG 90 Ca 0.12 -0.52 0.31 0.00 -1.72 0.00 0.00 55.73 53.92 1hgg s ARG 90 Cb -0.12 -3.00 1.71 0.00 -0.45 0.00 0.00 34.95 33.09 1hgg s ARG 90 CO 0.01 0.56 2.17 0.66 -0.68 0.00 0.00 175.30 178.02 1hgg h SER 91 N 2.58 0.00 0.67 0.23 4.64 -1.91 -2.32 113.55 117.44 1hgg h SER 91 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1hgg h SER 91 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1hgg h SER 91 CO 0.72 0.06 -0.05 0.29 -0.87 0.00 0.00 176.83 176.98 1hgg n LYS 92 N -3.59 0.31 -1.79 4.77 4.76 -1.26 -4.93 118.16 116.42 1hgg n LYS 92 Ca -0.02 -0.03 -0.38 0.00 -2.87 0.00 0.00 58.31 55.00 1hgg n LYS 92 Cb 0.17 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.90 1hgg n LYS 92 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hgg s ALA 93 N -2.72 2.83 0.03 7.82 0.00 -0.88 -4.87 121.76 123.97 1hgg s ALA 93 Ca 0.23 1.33 -0.04 0.00 0.00 0.00 0.00 51.96 53.48 1hgg s ALA 93 Cb 0.20 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1hgg s ALA 93 CO 0.50 -1.36 0.05 -0.59 0.00 0.00 0.00 175.76 174.35 1hgg s PHE 94 N -1.31 0.24 0.12 0.00 -0.71 -0.52 -4.94 117.98 110.87 1hgg s PHE 94 Ca 0.71 -0.54 0.02 0.00 -1.04 0.00 0.00 56.93 56.08 1hgg s PHE 94 Cb -0.40 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.19 1hgg s PHE 94 CO 0.48 -0.31 0.21 -1.12 -1.34 0.00 0.00 175.22 173.14 1hgg s SER 95 N -1.96 6.10 -0.37 1.98 0.01 -1.26 -4.68 113.70 113.51 1hgg s SER 95 Ca -0.08 0.12 0.12 0.00 1.31 0.00 0.00 55.95 57.42 1hgg s SER 95 Cb -0.03 -1.79 0.41 0.00 0.21 0.00 0.00 66.02 64.82 1hgg s SER 95 CO -0.04 0.10 1.36 -3.20 0.41 0.00 0.00 173.24 171.87 1hgg n ASN 96 N -0.16 -1.29 0.00 2.44 5.15 -1.26 -5.11 115.26 115.03 1hgg n ASN 96 Ca -0.07 -2.40 0.00 0.00 -0.60 0.00 0.00 54.58 51.51 1hgg n ASN 96 Cb 0.53 0.70 0.00 0.00 -0.53 0.00 0.00 39.78 40.48 1hgg n ASN 96 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hgg n TYR 98 N 0.00 2.67 -1.67 0.00 4.19 -1.26 -4.61 117.16 116.48 1hgg n TYR 98 Ca 0.00 0.23 -0.44 0.00 3.31 0.00 0.00 57.90 60.99 1hgg n TYR 98 Cb 0.00 -2.59 -0.04 0.00 0.49 0.00 0.00 39.34 37.20 1hgg n TYR 98 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1hgg n PRO 99 N 2.72 2.60 -4.28 2.98 -0.04 -1.26 -4.93 135.00 132.79 1hgg n PRO 99 Ca 0.12 0.95 -0.15 0.00 -0.04 0.00 0.00 63.50 64.38 1hgg n PRO 99 Cb 0.35 -2.86 -0.10 0.00 -0.04 0.00 0.00 33.50 30.85 1hgg n PRO 99 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1hgg s TYR 100 N 3.89 1.36 0.07 0.54 1.13 -1.26 -1.72 117.35 121.35 1hgg s TYR 100 Ca 0.89 -0.87 0.01 0.00 -1.41 0.00 0.00 57.07 55.69 1hgg s TYR 100 Cb -0.54 -0.75 -0.04 0.00 -1.10 0.00 0.00 41.96 39.54 1hgg s TYR 100 CO 0.44 -0.02 -0.06 0.16 -2.51 0.00 0.00 175.55 173.57 1hgg s ASP 101 N -3.22 0.81 -0.18 -0.18 -4.77 -0.37 -4.91 116.67 103.84 1hgg s ASP 101 Ca 0.22 -0.85 0.00 0.00 -3.30 0.00 0.00 52.55 48.63 1hgg s ASP 101 Cb 0.04 0.11 0.04 0.00 -1.09 0.00 0.00 42.92 42.02 1hgg s ASP 101 CO 0.04 -0.42 -0.09 -0.69 0.70 0.00 0.00 175.17 174.71 1hgg s VAL 102 N -2.97 1.44 0.14 2.11 1.01 -1.26 -1.22 120.40 119.66 1hgg s VAL 102 Ca 0.03 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 1hgg s VAL 102 Cb 0.01 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1hgg s VAL 102 CO -0.05 0.18 1.58 -0.65 0.00 0.00 0.00 175.10 176.16 1hgg h PRO 103 N 8.03 -0.39 -2.39 2.72 0.11 -1.97 -2.62 132.00 135.50 1hgg h PRO 103 Ca -0.27 0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.19 1hgg h PRO 103 Cb 1.11 0.09 -0.37 0.00 0.11 0.00 0.00 31.00 31.93 1hgg h PRO 103 CO 0.45 -0.26 -0.11 -3.47 -0.21 0.00 0.00 178.00 174.40 1hgg n ASP 104 N -5.42 4.88 -0.24 -2.05 -0.08 -1.26 -4.82 116.55 107.55 1hgg n ASP 104 Ca -0.02 -3.51 0.04 0.00 -1.51 0.00 0.00 54.79 49.79 1hgg n ASP 104 Cb 0.36 -0.84 0.15 0.00 2.34 0.00 0.00 41.12 43.12 1hgg n ASP 104 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1hgg h TYR 105 N 4.27 0.01 -0.91 -0.67 5.03 -1.87 -0.06 116.97 122.76 1hgg h TYR 105 Ca 0.22 0.05 0.12 0.00 2.58 0.00 0.00 58.73 61.70 1hgg h TYR 105 Cb 0.59 0.11 -0.08 0.00 1.55 0.00 0.00 36.73 38.90 1hgg h TYR 105 CO 0.87 -0.20 0.54 0.00 -1.32 0.00 0.00 178.16 178.05 1hgg h ALA 106 N 1.66 1.35 0.15 1.82 0.00 -1.88 0.22 119.26 122.58 1hgg h ALA 106 Ca 0.40 0.04 -0.29 0.00 0.00 0.00 0.00 54.91 55.05 1hgg h ALA 106 Cb 0.69 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1hgg h ALA 106 CO -0.61 0.12 -1.28 0.77 0.00 0.00 0.00 179.25 178.24 1hgg h SER 107 N 0.85 0.58 -0.36 0.00 0.02 -1.45 -2.60 113.55 110.58 1hgg h SER 107 Ca 0.46 -0.60 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1hgg h SER 107 Cb 0.48 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1hgg h SER 107 CO -0.28 1.46 0.12 0.25 -1.14 0.00 0.00 176.83 177.24 1hgg h LEU 108 N 0.12 0.52 -0.60 5.07 5.85 -0.36 0.79 115.31 126.71 1hgg h LEU 108 Ca -0.17 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.42 1hgg h LEU 108 Cb 1.99 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.83 1hgg h LEU 108 CO 0.22 0.58 0.30 -0.09 -0.34 0.00 0.00 178.44 179.11 1hgg h ARG 109 N 0.43 0.55 0.13 1.25 2.43 -0.70 -2.14 114.38 116.34 1hgg h ARG 109 Ca 0.12 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1hgg h ARG 109 Cb 0.24 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1hgg h ARG 109 CO -0.01 0.36 -0.06 1.03 -1.51 0.00 0.00 179.97 179.79 1hgg h SER 110 N 0.57 -0.15 -0.19 -3.80 0.87 -0.88 -0.67 113.55 109.29 1hgg h SER 110 Ca 0.27 -0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 1hgg h SER 110 Cb 0.20 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.13 1hgg h SER 110 CO -0.19 -0.09 -0.30 0.25 -0.53 0.00 0.00 176.83 175.96 1hgg h LEU 111 N -0.19 -0.96 -0.17 2.23 6.46 -0.68 -0.81 115.31 121.20 1hgg h LEU 111 Ca -0.02 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1hgg h LEU 111 Cb 0.15 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1hgg h LEU 111 CO 0.03 -0.34 -0.02 0.58 -0.62 0.00 0.00 178.44 178.08 1hgg h VAL 112 N -0.34 1.27 -0.72 1.05 2.07 -1.40 -2.59 116.25 115.60 1hgg h VAL 112 Ca 0.12 -0.92 0.14 0.00 0.82 0.00 0.00 66.70 66.85 1hgg h VAL 112 Cb 0.52 1.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 1hgg h VAL 112 CO -0.39 0.27 0.25 0.00 0.02 0.00 0.00 177.57 177.73 1hgg h ALA 113 N 0.74 0.97 0.00 1.67 0.00 -0.17 -0.15 119.26 122.33 1hgg h ALA 113 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1hgg h ALA 113 Cb 0.42 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1hgg h ALA 113 CO 0.01 -0.24 -0.65 0.66 0.00 0.00 0.00 179.25 179.03 1hgg h SER 114 N 0.39 0.00 -0.66 0.00 4.64 -1.25 -3.12 113.55 113.55 1hgg h SER 114 Ca 0.39 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 1hgg h SER 114 Cb 0.60 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1hgg h SER 114 CO -0.41 0.08 0.24 -1.28 -0.87 0.00 0.00 176.83 174.59 1hgg h SER 115 N 0.00 0.93 0.00 4.97 0.87 -0.63 -3.35 113.55 116.33 1hgg h SER 115 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1hgg h SER 115 Cb 0.81 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1hgg h SER 115 CO 0.00 0.86 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 1hgg n GLY 116 N -0.80 0.56 3.04 5.77 0.00 -0.74 -4.15 105.19 108.88 1hgg n GLY 116 Ca 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1hgg n GLY 116 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hgg s THR 117 N -2.00 0.04 -0.47 2.61 -1.32 -1.26 -2.26 115.64 110.99 1hgg s THR 117 Ca 0.00 -0.34 0.14 0.00 -1.21 0.00 0.00 61.69 60.29 1hgg s THR 117 Cb 0.00 -0.29 0.46 0.00 -1.51 0.00 0.00 72.50 71.16 1hgg s THR 117 CO 0.00 -0.19 1.37 0.18 -2.21 0.00 0.00 174.62 173.78 1hgg n LEU 118 N 2.31 3.59 -4.65 9.08 4.77 -0.48 -4.87 117.00 126.76 1hgg n LEU 118 Ca -0.17 -2.64 -0.52 0.00 -0.03 0.00 0.00 56.01 52.65 1hgg n LEU 118 Cb 0.57 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1hgg n LEU 118 CO 0.21 0.70 1.51 -0.62 -1.33 0.00 0.00 177.39 177.86 1hgg n GLU 119 N -0.09 1.63 -4.79 3.23 1.02 -1.26 -3.06 120.64 117.32 1hgg n GLU 119 Ca 0.18 0.57 -0.33 0.00 -0.02 0.00 0.00 57.16 57.56 1hgg n GLU 119 Cb 0.73 -2.45 -0.13 0.00 -0.02 0.00 0.00 31.44 29.57 1hgg n GLU 119 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1hgg s PHE 120 N 4.66 2.79 -0.09 -0.32 5.36 -1.26 -1.83 117.98 127.29 1hgg s PHE 120 Ca 0.98 -0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.78 1hgg s PHE 120 Cb -0.84 -1.70 -0.02 0.00 -0.34 0.00 0.00 43.02 40.12 1hgg s PHE 120 CO 0.55 0.15 -0.13 0.42 -1.46 0.00 0.00 175.22 174.76 1hgg s ILE 121 N -0.54 3.10 -0.03 3.12 -1.09 -0.09 -4.99 121.20 120.67 1hgg s ILE 121 Ca 0.08 -0.68 -0.16 0.00 -2.23 0.00 0.00 60.65 57.66 1hgg s ILE 121 Cb -0.12 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 1hgg s ILE 121 CO 0.02 0.56 0.42 -0.89 -1.23 0.00 0.00 174.94 173.81 1hgg s THR 122 N -0.16 5.06 0.25 2.92 2.01 -1.26 -1.20 115.64 123.27 1hgg s THR 122 Ca -0.00 0.86 0.12 0.00 0.31 0.00 0.00 61.69 62.97 1hgg s THR 122 Cb -0.13 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1hgg s THR 122 CO 0.03 0.51 -0.19 -1.61 -0.69 0.00 0.00 174.62 172.68 1hgg s GLU 123 N -0.63 1.71 -1.43 4.92 2.02 -0.43 -4.91 118.70 119.94 1hgg s GLU 123 Ca 0.24 -1.66 -0.12 0.00 0.02 0.00 0.00 54.97 53.45 1hgg s GLU 123 Cb -0.16 -1.84 0.06 0.00 0.10 0.00 0.00 34.13 32.29 1hgg s GLU 123 CO 0.12 0.35 2.25 0.41 0.02 0.00 0.00 175.26 178.42 1hgg n GLY 124 N -0.40 4.52 3.75 -1.39 0.00 -1.26 -4.66 105.19 105.75 1hgg n GLY 124 Ca -0.07 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1hgg n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hgg s PHE 125 N 2.24 3.29 -0.31 1.61 0.08 -1.26 -5.00 117.98 118.63 1hgg s PHE 125 Ca 0.48 1.42 -0.02 0.00 0.12 0.00 0.00 56.93 58.93 1hgg s PHE 125 Cb 0.14 -3.53 0.05 0.00 -0.57 0.00 0.00 43.02 39.11 1hgg s PHE 125 CO -0.06 -1.47 0.02 0.99 -0.10 0.00 0.00 175.22 174.60 1hgg s THR 126 N -0.61 3.11 -0.49 0.64 2.01 -1.26 -5.06 115.64 113.97 1hgg s THR 126 Ca 0.51 -1.39 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 1hgg s THR 126 Cb -0.36 -2.80 0.06 0.00 0.01 0.00 0.00 72.50 69.41 1hgg s THR 126 CO 0.43 -0.15 0.53 0.26 -0.69 0.00 0.00 174.62 175.01 1hgg s TRP 127 N 1.27 3.13 -0.22 4.92 0.52 -1.26 -4.97 118.94 122.32 1hgg s TRP 127 Ca -0.04 -0.70 -0.14 0.00 0.02 0.00 0.00 56.10 55.24 1hgg s TRP 127 Cb -0.20 -3.40 -0.04 0.00 -1.15 0.00 0.00 33.47 28.68 1hgg s TRP 127 CO -0.01 -0.94 0.31 0.95 0.02 0.00 0.00 176.95 177.29 1hgg s THR 128 N 2.23 5.25 0.00 2.01 -4.23 -1.26 -4.35 115.64 115.29 1hgg s THR 128 Ca 0.11 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1hgg s THR 128 Cb -0.21 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1hgg s THR 128 CO 0.10 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1hgg n GLY 129 N 4.10 0.63 3.37 3.99 0.00 -1.26 -4.81 105.19 111.21 1hgg n GLY 129 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1hgg n GLY 129 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hgg s VAL 130 N -2.00 1.36 -0.07 1.61 -7.23 -1.26 -3.37 120.40 109.44 1hgg s VAL 130 Ca 0.00 -2.09 -0.18 0.00 -1.81 0.00 0.00 61.98 57.90 1hgg s VAL 130 Cb 0.00 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 1hgg s VAL 130 CO 0.00 -0.37 0.49 -0.89 -0.31 0.00 0.00 175.10 174.01 1hgg s THR 131 N -3.20 5.09 0.50 5.32 2.01 0.72 -4.74 115.64 121.34 1hgg s THR 131 Ca 0.27 0.99 0.09 0.00 0.31 0.00 0.00 61.69 63.35 1hgg s THR 131 Cb 0.04 -3.82 0.04 0.00 0.01 0.00 0.00 72.50 68.78 1hgg s THR 131 CO 0.09 0.40 0.64 -1.10 -0.69 0.00 0.00 174.62 173.96 1hgg s GLN 132 N 0.07 2.52 -1.75 4.92 -0.21 -1.26 -1.35 119.66 122.59 1hgg s GLN 132 Ca 0.26 -1.51 0.00 0.00 0.02 0.00 0.00 55.36 54.13 1hgg s GLN 132 Cb -0.16 -2.62 0.00 0.00 1.00 0.00 0.00 33.01 31.23 1hgg s GLN 132 CO 0.12 -0.56 0.00 0.09 -2.12 0.00 0.00 175.29 172.83 1hgg n ASN 133 N -1.99 -5.45 -4.70 5.90 3.02 -1.23 -4.96 115.26 105.86 1hgg n ASN 133 Ca 0.10 0.13 -0.37 0.00 -0.03 0.00 0.00 54.58 54.41 1hgg n ASN 133 Cb 0.61 -4.53 0.07 0.00 -0.61 0.00 0.00 39.78 35.32 1hgg n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hgg n GLY 134 N -0.90 0.30 0.59 7.41 0.00 -0.84 -4.89 105.19 106.85 1hgg n GLY 134 Ca -0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 1hgg n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hgg n GLY 135 N 1.00 2.98 3.30 -0.02 0.00 -1.26 -4.36 105.19 106.83 1hgg n GLY 135 Ca 0.15 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 1hgg n GLY 135 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hgg s SER 136 N -1.38 -0.18 0.21 1.61 0.15 0.78 -4.77 113.70 110.12 1hgg s SER 136 Ca 0.05 -0.33 0.23 0.00 0.70 0.00 0.00 55.95 56.60 1hgg s SER 136 Cb -0.00 0.44 0.91 0.00 -1.71 0.00 0.00 66.02 65.66 1hgg s SER 136 CO 0.04 -0.80 1.69 0.59 1.20 0.00 0.00 173.24 175.96 1hgg n ASN 137 N -0.08 0.57 0.03 5.45 3.02 -1.26 -1.46 115.26 121.54 1hgg n ASN 137 Ca -0.16 0.62 0.14 0.00 -0.03 0.00 0.00 54.58 55.15 1hgg n ASN 137 Cb 0.63 -0.75 0.52 0.00 -0.61 0.00 0.00 39.78 39.57 1hgg n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hgg n ALA 138 N -1.73 2.41 -3.17 5.41 0.00 -1.26 -3.92 120.51 118.25 1hgg n ALA 138 Ca 0.03 -0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 1hgg n ALA 138 Cb 0.25 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 1hgg n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hgg s LYS 140 N -2.74 4.14 -0.38 0.00 2.47 -1.25 -0.52 119.74 121.46 1hgg s LYS 140 Ca 0.43 2.49 -0.08 0.00 -1.56 0.00 0.00 55.97 57.25 1hgg s LYS 140 Cb 0.23 -4.12 0.06 0.00 -1.46 0.00 0.00 37.83 32.55 1hgg s LYS 140 CO -0.08 -0.94 0.19 0.50 0.16 0.00 0.00 175.35 175.18 1hgg s ARG 141 N 4.36 2.57 7.51 4.03 3.52 -0.48 -4.80 118.95 135.67 1hgg s ARG 141 Ca 0.84 -1.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1hgg s ARG 141 Cb -0.40 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 1hgg s ARG 141 CO 0.38 -0.83 0.00 0.41 -0.81 0.00 0.00 175.30 174.45 1hgg n GLY 142 N 4.85 2.81 0.17 8.12 0.00 -1.26 -1.97 105.19 117.91 1hgg n GLY 142 Ca -0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 1hgg n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hgg h PRO 143 N 0.00 0.26 -7.31 1.61 0.13 -2.02 -3.47 132.00 121.21 1hgg h PRO 143 Ca 0.00 -0.18 -0.46 0.00 -0.87 0.00 0.00 66.00 64.49 1hgg h PRO 143 Cb 0.00 0.03 0.09 0.00 0.13 0.00 0.00 31.00 31.25 1hgg h PRO 143 CO 0.00 0.80 0.21 0.20 -0.23 0.00 0.00 178.00 178.98 1hgg s GLY 144 N -4.32 1.73 0.50 1.56 0.00 -0.83 -5.05 107.32 100.91 1hgg s GLY 144 Ca -0.04 -1.19 -0.20 0.00 0.00 0.00 0.00 44.72 43.29 1hgg s GLY 144 CO 0.80 -0.70 1.07 -0.56 0.00 0.00 0.00 173.10 173.72 1hgg s SER 145 N -4.63 6.14 0.00 1.64 0.01 -1.26 -1.38 113.70 114.23 1hgg s SER 145 Ca 0.64 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1hgg s SER 145 Cb -0.08 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1hgg s SER 145 CO 0.45 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.79 1hgg n GLY 146 N -0.10 2.66 2.75 3.44 0.00 0.33 -4.30 105.19 109.97 1hgg n GLY 146 Ca 0.10 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 1hgg n GLY 146 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1hgg n PHE 147 N 0.00 -1.63 -1.73 1.61 7.35 -1.24 -0.16 117.46 121.66 1hgg n PHE 147 Ca 0.00 -1.63 -0.42 0.00 -0.76 0.00 0.00 57.45 54.64 1hgg n PHE 147 Cb 0.00 0.57 -0.03 0.00 0.35 0.00 0.00 39.48 40.37 1hgg n PHE 147 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1hgg s PHE 148 N -3.58 2.85 0.49 -5.13 0.08 -1.26 -4.68 117.98 106.75 1hgg s PHE 148 Ca 0.18 0.44 0.15 0.00 0.12 0.00 0.00 56.93 57.82 1hgg s PHE 148 Cb -0.02 -4.13 1.17 0.00 -0.57 0.00 0.00 43.02 39.46 1hgg s PHE 148 CO 0.13 -4.18 2.09 0.66 -0.10 0.00 0.00 175.22 173.82 1hgg h SER 149 N 6.28 0.15 -0.44 1.36 4.64 -0.97 -2.76 113.55 121.80 1hgg h SER 149 Ca -0.44 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1hgg h SER 149 Cb 1.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1hgg h SER 149 CO 0.92 0.10 0.00 0.54 -0.87 0.00 0.00 176.83 177.52 1hgg n ARG 150 N -4.50 2.15 -4.43 4.77 3.00 -0.83 -4.92 116.66 111.91 1hgg n ARG 150 Ca 0.01 -1.77 -0.22 0.00 -0.01 0.00 0.00 57.85 55.86 1hgg n ARG 150 Cb 0.18 -1.41 -0.10 0.00 0.00 0.00 0.00 32.46 31.12 1hgg n ARG 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1hgg s LEU 151 N -1.16 2.56 -0.26 0.55 1.43 -1.04 -2.91 118.68 117.84 1hgg s LEU 151 Ca 0.34 -1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 1hgg s LEU 151 Cb 0.18 -0.79 0.09 0.00 0.03 0.00 0.00 46.19 45.70 1hgg s LEU 151 CO 0.25 -0.20 0.09 0.21 0.23 0.00 0.00 176.35 176.93 1hgg s ASN 152 N -3.45 3.41 -0.34 2.29 2.47 0.13 -4.77 114.94 114.69 1hgg s ASN 152 Ca 0.28 -1.21 -0.29 0.00 0.42 0.00 0.00 52.86 52.06 1hgg s ASN 152 Cb 0.01 -0.55 0.02 0.00 -1.45 0.00 0.00 41.25 39.27 1hgg s ASN 152 CO 0.12 -0.39 1.13 0.86 -3.72 0.00 0.00 177.10 175.10 1hgg s TRP 153 N 1.90 3.01 -0.07 0.43 -0.11 -1.26 -0.93 118.94 121.91 1hgg s TRP 153 Ca 0.06 1.06 -0.04 0.00 1.22 0.00 0.00 56.10 58.40 1hgg s TRP 153 Cb -0.17 -3.85 -0.04 0.00 -1.50 0.00 0.00 33.47 27.92 1hgg s TRP 153 CO -0.24 -1.04 0.14 -0.51 -4.62 0.00 0.00 176.95 170.68 1hgg s LEU 154 N 3.92 4.26 0.37 5.86 1.43 -1.21 -1.98 118.68 131.33 1hgg s LEU 154 Ca 0.48 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.98 1hgg s LEU 154 Cb -0.12 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1hgg s LEU 154 CO 0.19 0.34 0.12 0.42 0.23 0.00 0.00 176.35 177.66 1hgg s THR 155 N -1.14 0.65 0.79 5.49 -4.23 -0.46 -4.73 115.64 112.01 1hgg s THR 155 Ca 0.20 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 1hgg s THR 155 Cb -0.12 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.31 1hgg s THR 155 CO 0.10 0.00 1.09 -1.59 -0.54 0.00 0.00 174.62 173.68 1hgg s LYS 156 N -3.77 2.14 -0.28 3.99 -2.85 -0.42 -0.20 119.74 118.35 1hgg s LYS 156 Ca 0.29 1.05 -0.05 0.00 -1.00 0.00 0.00 55.97 56.26 1hgg s LYS 156 Cb 0.04 -1.89 0.02 0.00 -2.06 0.00 0.00 37.83 33.94 1hgg s LYS 156 CO 0.15 -1.69 0.03 0.45 0.10 0.00 0.00 175.35 174.40 1hgg s SER 157 N -3.48 4.86 0.64 0.03 0.15 -0.35 -3.78 113.70 111.77 1hgg s SER 157 Ca 0.61 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1hgg s SER 157 Cb -0.17 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1hgg s SER 157 CO 0.56 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.43 1hgg n GLY 158 N 4.79 0.84 0.14 9.45 0.00 -1.26 -2.14 105.19 117.00 1hgg n GLY 158 Ca -0.15 0.43 0.04 0.00 0.00 0.00 0.00 46.02 46.34 1hgg n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hgg n SER 159 N 7.40 1.48 -3.84 1.61 3.41 -1.26 -5.04 113.62 117.37 1hgg n SER 159 Ca 0.00 -2.35 -0.12 0.00 -0.26 0.00 0.00 58.87 56.14 1hgg n SER 159 Cb 0.00 -0.23 -0.12 0.00 -0.26 0.00 0.00 64.21 63.60 1hgg n SER 159 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hgg s THR 160 N -1.47 0.02 -0.26 6.66 2.01 -0.91 -4.99 115.64 116.69 1hgg s THR 160 Ca 0.14 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.99 1hgg s THR 160 Cb 0.12 -0.24 0.07 0.00 0.01 0.00 0.00 72.50 72.46 1hgg s THR 160 CO 0.01 -0.09 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.34 1hgg s TYR 161 N -0.25 2.78 1.09 4.92 6.14 -1.26 -1.21 117.35 129.56 1hgg s TYR 161 Ca -0.03 -2.10 -0.17 0.00 0.64 0.00 0.00 57.07 55.41 1hgg s TYR 161 Cb -0.03 -1.89 0.24 0.00 0.42 0.00 0.00 41.96 40.71 1hgg s TYR 161 CO 0.00 -0.84 1.18 -1.25 0.64 0.00 0.00 175.55 175.28 1hgg s PRO 162 N 1.26 -0.35 -0.50 4.97 0.04 -1.26 -4.91 135.00 134.25 1hgg s PRO 162 Ca -0.03 -0.11 -0.24 0.00 0.04 0.00 0.00 61.00 60.66 1hgg s PRO 162 Cb -0.19 -1.70 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1hgg s PRO 162 CO -0.07 -3.12 0.87 0.08 0.04 0.00 0.00 177.00 174.79 1hgg s VAL 163 N -3.30 4.52 0.26 -0.36 1.01 -1.26 -4.64 120.40 116.63 1hgg s VAL 163 Ca 0.71 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 1hgg s VAL 163 Cb -0.09 -4.43 -0.09 0.00 0.00 0.00 0.00 36.38 31.76 1hgg s VAL 163 CO 0.55 -0.91 1.23 -0.76 0.00 0.00 0.00 175.10 175.20 1hgg s LEU 164 N 3.62 4.47 -0.42 3.92 1.43 0.16 -4.89 118.68 126.97 1hgg s LEU 164 Ca 0.31 2.42 0.05 0.00 -1.03 0.00 0.00 54.13 55.87 1hgg s LEU 164 Cb -0.12 -3.63 0.17 0.00 0.03 0.00 0.00 46.19 42.64 1hgg s LEU 164 CO 0.21 -0.39 0.46 0.21 0.23 0.00 0.00 176.35 177.08 1hgg s ASN 165 N -0.30 0.46 0.31 2.29 2.47 -1.25 -1.15 114.94 117.77 1hgg s ASN 165 Ca 0.50 -1.90 0.08 0.00 0.42 0.00 0.00 52.86 51.96 1hgg s ASN 165 Cb -0.35 0.72 -0.04 0.00 -1.45 0.00 0.00 41.25 40.13 1hgg s ASN 165 CO 0.43 -0.19 0.11 0.68 -3.72 0.00 0.00 177.10 174.42 1hgg s VAL 166 N 1.02 3.32 0.02 -5.21 -7.23 -0.05 -4.95 120.40 107.32 1hgg s VAL 166 Ca 0.23 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1hgg s VAL 166 Cb -0.07 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 1hgg s VAL 166 CO -0.07 -0.25 -0.03 0.28 -0.31 0.00 0.00 175.10 174.72 1hgg s THR 167 N -2.36 0.14 -0.23 5.32 -1.32 -1.26 -1.29 115.64 114.64 1hgg s THR 167 Ca 0.36 -0.69 -0.04 0.00 -1.21 0.00 0.00 61.69 60.11 1hgg s THR 167 Cb -0.04 -0.24 0.09 0.00 -1.51 0.00 0.00 72.50 70.80 1hgg s THR 167 CO 0.22 -0.35 0.18 -0.32 -2.21 0.00 0.00 174.62 172.14 1hgg s MET 168 N -1.08 0.18 0.20 7.08 1.75 -0.37 -4.97 119.30 122.09 1hgg s MET 168 Ca -0.11 -0.09 -0.30 0.00 -1.25 0.00 0.00 55.69 53.94 1hgg s MET 168 Cb -0.07 -1.26 -0.08 0.00 2.84 0.00 0.00 34.83 36.25 1hgg s MET 168 CO -0.01 -0.80 1.18 -2.14 -0.65 0.00 0.00 175.02 172.60 1hgg s PRO 169 N 2.23 4.51 -0.60 4.11 0.02 -1.26 -0.99 135.00 143.02 1hgg s PRO 169 Ca 0.07 1.87 -0.22 0.00 0.02 0.00 0.00 61.00 62.74 1hgg s PRO 169 Cb -0.16 -3.23 0.07 0.00 0.02 0.00 0.00 34.50 31.20 1hgg s PRO 169 CO -0.20 -0.04 0.87 1.21 -0.33 0.00 0.00 177.00 178.51 1hgg s ASN 170 N -0.04 6.22 -0.01 2.53 3.84 0.01 -4.79 114.94 122.70 1hgg s ASN 170 Ca 0.51 -0.89 0.20 0.00 0.21 0.00 0.00 52.86 52.89 1hgg s ASN 170 Cb -0.33 -2.39 -0.24 0.00 -0.55 0.00 0.00 41.25 37.74 1hgg s ASN 170 CO 0.38 -1.27 0.70 0.59 -2.79 0.00 0.00 177.10 174.71 1hgg n ASN 171 N 7.24 0.75 -4.01 -4.21 5.03 -1.26 -0.83 115.26 117.97 1hgg n ASN 171 Ca -0.04 -0.65 -0.30 0.00 0.87 0.00 0.00 54.58 54.46 1hgg n ASN 171 Cb 0.45 1.30 0.20 0.00 -1.02 0.00 0.00 39.78 40.71 1hgg n ASN 171 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1hgg s ASP 172 N -3.32 2.66 -0.38 6.41 1.11 -1.26 -4.82 116.67 117.06 1hgg s ASP 172 Ca 0.03 0.27 0.07 0.00 0.18 0.00 0.00 52.55 53.10 1hgg s ASP 172 Cb 0.14 -0.30 0.68 0.00 1.07 0.00 0.00 42.92 44.51 1hgg s ASP 172 CO 0.81 -3.02 1.82 -0.46 1.18 0.00 0.00 175.17 175.50 1hgg n ASN 173 N -3.96 4.01 -4.18 0.27 6.94 -1.26 -4.39 115.26 112.69 1hgg n ASN 173 Ca 0.16 -3.48 -0.11 0.00 -0.02 0.00 0.00 54.58 51.13 1hgg n ASN 173 Cb 0.59 -0.78 -0.10 0.00 -2.36 0.00 0.00 39.78 37.13 1hgg n ASN 173 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1hgg s PHE 174 N -3.18 1.02 0.43 -2.53 -0.12 -1.26 -4.93 117.98 107.42 1hgg s PHE 174 Ca 0.55 -1.26 -0.23 0.00 -0.05 0.00 0.00 56.93 55.94 1hgg s PHE 174 Cb 0.46 -0.55 -0.09 0.00 -0.63 0.00 0.00 43.02 42.21 1hgg s PHE 174 CO 0.11 -0.53 1.03 -0.51 -0.05 0.00 0.00 175.22 175.27 1hgg s ASP 175 N -3.11 6.68 -0.14 1.98 1.01 -1.26 -3.90 116.67 117.93 1hgg s ASP 175 Ca 0.30 1.95 0.03 0.00 0.71 0.00 0.00 52.55 55.53 1hgg s ASP 175 Cb 0.07 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1hgg s ASP 175 CO 0.06 -0.54 -0.22 -0.54 0.21 0.00 0.00 175.17 174.14 1hgg s LYS 176 N -2.79 2.99 -0.23 8.23 1.02 -0.19 -3.57 119.74 125.21 1hgg s LYS 176 Ca 0.61 -0.84 -0.16 0.00 0.02 0.00 0.00 55.97 55.60 1hgg s LYS 176 Cb -0.18 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 1hgg s LYS 176 CO 0.23 -0.01 0.40 -1.17 -0.92 0.00 0.00 175.35 173.89 1hgg s LEU 177 N 0.79 4.11 -0.17 3.17 2.96 -0.38 -0.23 118.68 128.93 1hgg s LEU 177 Ca -0.08 0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 1hgg s LEU 177 Cb -0.16 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1hgg s LEU 177 CO -0.01 -0.13 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.56 1hgg s TYR 178 N 1.64 3.04 -0.28 5.38 2.02 0.78 -1.24 117.35 128.69 1hgg s TYR 178 Ca 0.18 -0.33 -0.09 0.00 -0.37 0.00 0.00 57.07 56.47 1hgg s TYR 178 Cb -0.15 -2.00 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1hgg s TYR 178 CO 0.09 -0.09 0.12 0.42 -1.57 0.00 0.00 175.55 174.52 1hgg s ILE 179 N 0.55 4.51 0.24 2.71 -1.09 -1.26 -0.89 121.20 125.97 1hgg s ILE 179 Ca -0.02 -0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.12 1hgg s ILE 179 Cb -0.14 -3.22 -0.01 0.00 -1.58 0.00 0.00 42.46 37.51 1hgg s ILE 179 CO 0.02 0.18 0.08 -2.67 -1.23 0.00 0.00 174.94 171.32 1hgg n TRP 180 N 4.96 0.13 -3.55 3.97 4.27 -0.85 -4.36 117.44 122.00 1hgg n TRP 180 Ca -0.15 -1.50 -0.02 0.00 -3.89 0.00 0.00 57.50 51.94 1hgg n TRP 180 Cb 0.50 -0.02 0.01 0.00 -1.36 0.00 0.00 31.31 30.44 1hgg n TRP 180 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1hgg n GLY 181 N 0.62 1.16 2.99 -1.67 0.00 -0.82 -0.89 105.19 106.57 1hgg n GLY 181 Ca -0.04 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1hgg n GLY 181 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1hgg s ILE 182 N -2.42 0.08 -0.18 -0.61 2.07 -0.86 -1.78 121.20 117.49 1hgg s ILE 182 Ca 0.10 -0.65 -0.06 0.00 -1.41 0.00 0.00 60.65 58.63 1hgg s ILE 182 Cb -0.02 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.29 1hgg s ILE 182 CO 0.04 -0.36 0.03 -2.28 -1.91 0.00 0.00 174.94 170.46 1hgg s HIS 183 N -1.09 3.15 -0.38 3.50 5.65 0.50 -1.51 115.29 125.11 1hgg s HIS 183 Ca -0.12 -0.13 -0.13 0.00 0.25 0.00 0.00 55.06 54.94 1hgg s HIS 183 Cb -0.07 -2.06 0.02 0.00 -1.18 0.00 0.00 32.58 29.28 1hgg s HIS 183 CO -0.00 0.01 0.24 -1.01 -0.65 0.00 0.00 174.74 173.33 1hgg s HIS 184 N 0.56 3.23 0.67 3.88 0.09 -0.09 -4.75 115.29 118.88 1hgg s HIS 184 Ca 0.01 -0.69 -0.14 0.00 -0.00 0.00 0.00 55.06 54.24 1hgg s HIS 184 Cb -0.13 -2.49 -0.00 0.00 -0.00 0.00 0.00 32.58 29.95 1hgg s HIS 184 CO 0.02 -0.57 1.08 -2.14 -0.00 0.00 0.00 174.74 173.12 1hgg s PRO 185 N 1.63 2.90 0.08 8.40 0.02 -1.26 -2.60 135.00 144.17 1hgg s PRO 185 Ca 0.04 1.21 -0.01 0.00 0.02 0.00 0.00 61.00 62.25 1hgg s PRO 185 Cb -0.19 -1.98 -0.26 0.00 0.02 0.00 0.00 34.50 32.09 1hgg s PRO 185 CO 0.08 -1.15 1.16 0.77 -0.33 0.00 0.00 177.00 177.54 1hgg h SER 186 N -0.19 0.31 -4.22 2.53 0.02 -1.84 -2.55 113.55 107.61 1hgg h SER 186 Ca -0.46 -0.34 -0.33 0.00 -0.84 0.00 0.00 61.79 59.83 1hgg h SER 186 Cb 1.23 -0.10 -0.17 0.00 0.14 0.00 0.00 62.40 63.50 1hgg h SER 186 CO 0.55 1.27 -0.73 0.42 -1.14 0.00 0.00 176.83 177.20 1hgg s THR 187 N -2.67 1.04 0.31 -2.27 -4.23 -1.26 -2.52 115.64 104.05 1hgg s THR 187 Ca -0.03 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1hgg s THR 187 Cb 0.08 -1.57 0.23 0.00 1.34 0.00 0.00 72.50 72.58 1hgg s THR 187 CO 0.87 -0.63 1.94 0.78 -0.54 0.00 0.00 174.62 177.04 1hgg h ASN 188 N 3.25 0.80 -0.20 3.99 2.35 -1.96 -1.35 115.58 122.45 1hgg h ASN 188 Ca -0.37 -0.06 0.05 0.00 -0.55 0.00 0.00 56.30 55.37 1hgg h ASN 188 Cb 1.19 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.31 1hgg h ASN 188 CO 0.57 0.64 -0.08 -0.61 -1.65 0.00 0.00 177.43 176.30 1hgg h GLN 189 N 0.91 -0.05 -0.71 0.81 4.15 -1.99 -1.49 115.11 116.74 1hgg h GLN 189 Ca 0.23 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.72 1hgg h GLN 189 Cb 0.02 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.66 1hgg h GLN 189 CO -0.04 -0.03 0.40 1.49 -1.93 0.00 0.00 178.83 178.72 1hgg h GLU 190 N -0.05 0.71 -0.55 1.69 4.81 -1.75 0.94 114.58 120.37 1hgg h GLU 190 Ca 0.11 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1hgg h GLU 190 Cb 0.21 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1hgg h GLU 190 CO -0.24 0.47 0.29 0.37 -0.73 0.00 0.00 179.01 179.17 1hgg h GLN 191 N 0.73 0.54 0.08 1.92 5.75 -0.62 -1.60 115.11 121.91 1hgg h GLN 191 Ca 0.32 -0.03 -0.26 0.00 -0.15 0.00 0.00 58.65 58.53 1hgg h GLN 191 Cb 0.21 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 28.64 1hgg h GLN 191 CO -0.19 0.36 -1.13 1.79 -2.65 0.00 0.00 178.83 177.01 1hgg h THR 192 N 0.56 1.43 -0.79 2.39 1.35 -0.70 0.49 112.91 117.63 1hgg h THR 192 Ca 0.24 -2.73 0.07 0.00 -0.55 0.00 0.00 66.41 63.45 1hgg h THR 192 Cb 0.14 2.70 -0.06 0.00 -1.73 0.00 0.00 68.15 69.20 1hgg h THR 192 CO -0.16 0.81 0.47 0.28 -0.25 0.00 0.00 175.52 176.66 1hgg h SER 193 N 0.16 0.70 0.06 5.36 0.02 -0.39 -0.83 113.55 118.64 1hgg h SER 193 Ca -0.12 0.03 -0.31 0.00 -0.84 0.00 0.00 61.79 60.55 1hgg h SER 193 Cb 1.81 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 64.21 1hgg h SER 193 CO 0.19 0.44 -1.67 0.18 -1.14 0.00 0.00 176.83 174.83 1hgg n LEU 194 N -4.71 2.26 -0.23 5.07 4.77 -0.64 -4.63 117.00 118.90 1hgg n LEU 194 Ca 0.11 0.31 0.02 0.00 -0.03 0.00 0.00 56.01 56.43 1hgg n LEU 194 Cb 0.20 -1.04 0.04 0.00 -2.33 0.00 0.00 43.42 40.29 1hgg n LEU 194 CO 0.29 0.58 0.43 -1.22 -1.33 0.00 0.00 177.39 176.14 1hgg n TYR 195 N -3.94 0.09 0.00 -1.77 4.01 0.16 -1.30 117.16 114.40 1hgg n TYR 195 Ca -0.33 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.19 1hgg n TYR 195 Cb 0.87 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 1hgg n TYR 195 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1hgg n VAL 196 N 0.13 0.00 -1.65 -0.72 0.31 -0.32 -4.55 118.33 111.53 1hgg n VAL 196 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.94 1hgg n VAL 196 Cb 0.21 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.13 1hgg n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hgg n GLN 197 N 0.00 1.73 -0.02 5.55 3.00 -1.26 -4.59 117.38 121.80 1hgg n GLN 197 Ca 0.00 0.61 0.08 0.00 -0.01 0.00 0.00 57.00 57.68 1hgg n GLN 197 Cb 0.00 -2.10 0.43 0.00 0.00 0.00 0.00 30.24 28.56 1hgg n GLN 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1hgg n ALA 198 N 0.20 2.57 -3.31 -1.58 0.00 -1.26 -4.52 120.51 112.61 1hgg n ALA 198 Ca 0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 1hgg n ALA 198 Cb 0.35 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 1hgg n ALA 198 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hgg s SER 199 N -1.47 -0.42 1.03 0.00 0.15 -1.26 -4.98 113.70 106.75 1hgg s SER 199 Ca 0.24 0.56 -0.10 0.00 0.70 0.00 0.00 55.95 57.35 1hgg s SER 199 Cb 0.11 1.55 0.13 0.00 -1.71 0.00 0.00 66.02 66.10 1hgg s SER 199 CO 0.19 -0.28 0.70 0.61 1.20 0.00 0.00 173.24 175.65 1hgg n GLY 200 N 5.39 -1.64 3.65 9.45 0.00 -1.26 -4.86 105.19 115.92 1hgg n GLY 200 Ca -0.03 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 1hgg n GLY 200 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hgg s ARG 201 N -4.53 0.16 -0.09 1.61 3.52 -1.13 -4.43 118.95 114.06 1hgg s ARG 201 Ca 0.41 0.24 0.01 0.00 -0.13 0.00 0.00 55.73 56.26 1hgg s ARG 201 Cb -0.02 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.44 1hgg s ARG 201 CO 0.29 -0.03 -0.12 0.08 -0.81 0.00 0.00 175.30 174.71 1hgg s VAL 202 N 0.78 1.25 -0.15 7.11 1.01 -0.39 -2.32 120.40 127.70 1hgg s VAL 202 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1hgg s VAL 202 Cb -0.03 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1hgg s VAL 202 CO -0.12 0.39 -0.12 -0.89 0.00 0.00 0.00 175.10 174.37 1hgg s THR 203 N 1.00 1.43 -0.07 3.92 2.01 0.02 -0.53 115.64 123.43 1hgg s THR 203 Ca -0.07 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.35 1hgg s THR 203 Cb -0.15 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1hgg s THR 203 CO -0.01 0.37 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.40 1hgg s VAL 204 N 1.53 2.48 0.18 3.82 1.01 -0.12 -0.94 120.40 128.37 1hgg s VAL 204 Ca 0.04 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1hgg s VAL 204 Cb -0.13 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1hgg s VAL 204 CO -0.10 0.57 0.46 -0.94 0.00 0.00 0.00 175.10 175.09 1hgg s SER 205 N -0.17 -0.18 0.00 3.32 1.04 -0.82 -0.54 113.70 116.35 1hgg s SER 205 Ca -0.02 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1hgg s SER 205 Cb -0.14 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1hgg s SER 205 CO 0.04 -1.01 0.00 0.35 0.98 0.00 0.00 173.24 173.60 1hgg n THR 206 N -0.30 0.00 0.11 2.02 -2.24 -0.49 -1.18 114.28 112.21 1hgg n THR 206 Ca -0.10 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.65 1hgg n THR 206 Cb 0.63 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 69.00 1hgg n THR 206 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1hgg h ARG 207 N 0.00 0.09 0.00 -0.78 3.08 -1.97 -3.30 114.38 111.50 1hgg h ARG 207 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1hgg h ARG 207 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1hgg h ARG 207 CO 0.00 0.69 -0.58 0.00 -1.07 0.00 0.00 179.97 179.01 1hgg h ARG 208 N 0.07 0.00 -3.02 0.04 3.08 -1.96 -3.49 114.38 109.10 1hgg h ARG 208 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1hgg h ARG 208 Cb 1.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1hgg h ARG 208 CO 0.09 0.00 0.26 -1.54 -1.07 0.00 0.00 179.97 177.71 1hgg s SER 209 N -4.42 -0.04 -0.04 7.04 1.04 -1.24 -5.18 113.70 110.86 1hgg s SER 209 Ca 0.06 -1.04 -0.28 0.00 0.48 0.00 0.00 55.95 55.16 1hgg s SER 209 Cb 0.13 0.83 0.06 0.00 0.10 0.00 0.00 66.02 67.13 1hgg s SER 209 CO 0.71 -1.62 0.62 0.00 0.98 0.00 0.00 173.24 173.94 1hgg s GLN 210 N -2.65 1.01 -0.03 4.02 -2.07 -1.26 -1.39 119.66 117.29 1hgg s GLN 210 Ca 0.15 0.16 0.01 0.00 -1.82 0.00 0.00 55.36 53.86 1hgg s GLN 210 Cb -0.05 0.47 0.01 0.00 -1.09 0.00 0.00 33.01 32.35 1hgg s GLN 210 CO 0.11 -0.32 -0.05 -0.65 -1.32 0.00 0.00 175.29 173.06 1hgg s GLN 211 N -1.31 0.77 -0.12 9.60 -0.21 0.30 -4.98 119.66 123.71 1hgg s GLN 211 Ca -0.11 -0.15 0.02 0.00 0.02 0.00 0.00 55.36 55.14 1hgg s GLN 211 Cb -0.01 -0.76 0.01 0.00 1.00 0.00 0.00 33.01 33.25 1hgg s GLN 211 CO 0.08 -0.01 -0.18 0.99 -2.12 0.00 0.00 175.29 174.05 1hgg s THR 212 N 0.59 1.75 -0.03 -0.19 2.01 -1.26 -0.94 115.64 117.57 1hgg s THR 212 Ca -0.08 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.19 1hgg s THR 212 Cb -0.11 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1hgg s THR 212 CO 0.00 0.49 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.59 1hgg s ILE 213 N 0.88 2.55 -0.05 1.82 1.09 0.31 -4.97 121.20 122.83 1hgg s ILE 213 Ca -0.08 -0.96 0.04 0.00 -1.10 0.00 0.00 60.65 58.56 1hgg s ILE 213 Cb -0.15 -1.96 -0.02 0.00 -1.06 0.00 0.00 42.46 39.26 1hgg s ILE 213 CO -0.01 0.56 -0.17 0.27 -0.10 0.00 0.00 174.94 175.49 1hgg s ILE 214 N -0.70 2.85 1.29 2.92 -4.36 -1.26 -1.27 121.20 120.68 1hgg s ILE 214 Ca 0.11 -0.80 -0.18 0.00 -0.26 0.00 0.00 60.65 59.52 1hgg s ILE 214 Cb -0.10 -2.10 0.32 0.00 1.25 0.00 0.00 42.46 41.82 1hgg s ILE 214 CO 0.00 0.58 0.99 -2.16 0.24 0.00 0.00 174.94 174.60 1hgg s PRO 215 N -0.59 -1.88 -0.18 0.37 0.04 -1.26 -5.02 135.00 126.48 1hgg s PRO 215 Ca 0.08 0.37 -0.05 0.00 0.04 0.00 0.00 61.00 61.45 1hgg s PRO 215 Cb -0.11 -1.48 0.07 0.00 0.04 0.00 0.00 34.50 33.02 1hgg s PRO 215 CO 0.01 -4.24 0.14 -0.80 0.04 0.00 0.00 177.00 172.15 1hgg s ASN 216 N -3.03 1.94 0.15 6.66 0.02 -1.26 -4.98 114.94 114.44 1hgg s ASN 216 Ca 0.69 -0.44 -0.25 0.00 -1.02 0.00 0.00 52.86 51.83 1hgg s ASN 216 Cb -0.17 -0.00 -0.08 0.00 0.02 0.00 0.00 41.25 41.02 1hgg s ASN 216 CO 0.60 -0.34 0.77 -0.63 0.02 0.00 0.00 177.10 177.52 1hgg s ILE 217 N 2.21 4.42 0.00 0.60 1.01 -1.26 -4.34 121.20 123.84 1hgg s ILE 217 Ca 0.04 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.36 1hgg s ILE 217 Cb -0.16 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1hgg s ILE 217 CO -0.10 0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1hgg n GLY 218 N 1.68 3.36 3.75 6.18 0.00 -0.96 -4.98 105.19 114.23 1hgg n GLY 218 Ca -0.06 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 1hgg n GLY 218 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hgg s SER 219 N 0.00 7.28 0.56 1.61 0.01 -1.24 -4.35 113.70 117.56 1hgg s SER 219 Ca 0.00 1.53 0.04 0.00 1.31 0.00 0.00 55.95 58.83 1hgg s SER 219 Cb 0.00 -2.49 0.04 0.00 0.21 0.00 0.00 66.02 63.78 1hgg s SER 219 CO 0.00 0.05 0.36 -0.13 0.41 0.00 0.00 173.24 173.93 1hgg s ARG 220 N -0.31 2.23 0.34 12.44 3.00 -0.92 -5.08 118.95 130.66 1hgg s ARG 220 Ca 0.39 -2.13 -0.29 0.00 0.00 0.00 0.00 55.73 53.70 1hgg s ARG 220 Cb -0.21 -2.00 -0.10 0.00 0.00 0.00 0.00 34.95 32.64 1hgg s ARG 220 CO 0.24 -0.64 1.36 -2.14 0.00 0.00 0.00 175.30 174.12 1hgg s PRO 221 N -4.25 4.29 -0.19 3.54 0.02 -1.26 -4.63 135.00 132.52 1hgg s PRO 221 Ca 0.28 2.32 -0.35 0.00 0.02 0.00 0.00 61.00 63.26 1hgg s PRO 221 Cb -0.02 -3.04 -0.12 0.00 0.02 0.00 0.00 34.50 31.34 1hgg s PRO 221 CO 0.17 -0.29 1.96 1.87 -0.33 0.00 0.00 177.00 180.39 1hgg n TRP 222 N 0.73 2.09 -3.83 6.54 -0.00 -1.25 -4.53 117.44 117.20 1hgg n TRP 222 Ca 0.00 0.13 -0.26 0.00 -0.00 0.00 0.00 57.50 57.37 1hgg n TRP 222 Cb 0.41 -2.61 -0.17 0.00 -0.00 0.00 0.00 31.31 28.94 1hgg n TRP 222 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1hgg s VAL 223 N 5.13 0.75 -1.37 5.87 1.01 0.07 -4.83 120.40 127.04 1hgg s VAL 223 Ca 0.98 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 1hgg s VAL 223 Cb -0.76 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1hgg s VAL 223 CO 0.52 0.17 0.45 0.54 0.00 0.00 0.00 175.10 176.78 1hgg n ARG 224 N 5.01 -2.76 -0.65 2.72 1.74 -1.26 -1.40 116.66 120.06 1hgg n ARG 224 Ca -0.10 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1hgg n ARG 224 Cb 0.49 -4.33 0.00 0.00 -1.02 0.00 0.00 32.46 27.60 1hgg n ARG 224 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hgg n GLY 225 N -1.99 1.65 3.34 -0.13 0.00 -1.26 -4.52 105.19 102.28 1hgg n GLY 225 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1hgg n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hgg s LEU 226 N 0.00 2.21 0.00 0.99 1.43 -0.49 -4.98 118.68 117.84 1hgg s LEU 226 Ca 0.00 -0.62 0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1hgg s LEU 226 Cb 0.00 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 1hgg s LEU 226 CO 0.00 0.22 0.88 -1.20 0.23 0.00 0.00 176.35 176.48 1hgg n SER 227 N 1.57 1.65 -4.67 2.29 7.64 -1.26 -0.75 113.62 120.11 1hgg n SER 227 Ca -0.17 -1.33 -0.25 0.00 1.01 0.00 0.00 58.87 58.13 1hgg n SER 227 Cb 0.52 0.49 0.11 0.00 -1.01 0.00 0.00 64.21 64.32 1hgg n SER 227 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1hgg s SER 228 N -2.01 4.33 0.08 6.43 0.01 -1.26 -2.16 113.70 119.12 1hgg s SER 228 Ca 0.14 -0.02 -0.12 0.00 1.31 0.00 0.00 55.95 57.26 1hgg s SER 228 Cb 0.14 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1hgg s SER 228 CO 0.44 -1.88 0.26 -0.13 0.41 0.00 0.00 173.24 172.34 1hgg s ARG 229 N -5.26 0.86 0.04 12.44 1.81 -1.07 -4.76 118.95 123.00 1hgg s ARG 229 Ca 0.65 -0.75 0.08 0.00 -1.72 0.00 0.00 55.73 54.00 1hgg s ARG 229 Cb -0.07 0.36 -0.03 0.00 -0.45 0.00 0.00 34.95 34.77 1hgg s ARG 229 CO 0.45 -0.29 -0.24 0.96 -0.68 0.00 0.00 175.30 175.51 1hgg s ILE 230 N -3.35 1.92 -0.08 1.52 -4.36 -0.70 -0.91 121.20 115.25 1hgg s ILE 230 Ca 0.01 -1.26 -0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1hgg s ILE 230 Cb 0.02 -1.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 1hgg s ILE 230 CO -0.08 0.33 -0.04 -0.44 0.24 0.00 0.00 174.94 174.95 1hgg s SER 231 N -1.11 4.92 -0.05 4.36 0.01 -0.57 -1.24 113.70 120.02 1hgg s SER 231 Ca 0.10 0.06 -0.11 0.00 1.31 0.00 0.00 55.95 57.30 1hgg s SER 231 Cb -0.09 -1.31 -0.05 0.00 0.21 0.00 0.00 66.02 64.78 1hgg s SER 231 CO 0.02 0.37 0.30 -0.63 0.41 0.00 0.00 173.24 173.70 1hgg s ILE 232 N -0.85 5.23 0.26 1.44 -1.09 -0.35 -2.03 121.20 123.80 1hgg s ILE 232 Ca 0.13 0.57 0.01 0.00 -2.23 0.00 0.00 60.65 59.13 1hgg s ILE 232 Cb -0.11 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 1hgg s ILE 232 CO 0.02 0.59 0.11 -0.31 -1.23 0.00 0.00 174.94 174.12 1hgg s TYR 233 N -1.07 1.49 0.03 3.97 2.02 -0.07 -4.08 117.35 119.64 1hgg s TYR 233 Ca 0.20 -1.24 -0.06 0.00 -0.37 0.00 0.00 57.07 55.61 1hgg s TYR 233 Cb -0.15 -0.84 -0.01 0.00 -0.40 0.00 0.00 41.96 40.56 1hgg s TYR 233 CO 0.10 -0.41 0.11 1.67 -1.57 0.00 0.00 175.55 175.45 1hgg s TRP 234 N -3.80 0.14 -0.04 2.71 1.48 -1.26 -2.00 118.94 116.18 1hgg s TRP 234 Ca 0.38 -0.38 -0.01 0.00 -1.06 0.00 0.00 56.10 55.03 1hgg s TRP 234 Cb 0.07 -0.11 0.03 0.00 -1.16 0.00 0.00 33.47 32.30 1hgg s TRP 234 CO 0.14 -0.34 0.08 0.99 -4.06 0.00 0.00 176.95 173.76 1hgg s THR 235 N -2.18 -0.05 -0.14 0.66 2.01 -0.07 -4.97 115.64 110.91 1hgg s THR 235 Ca -0.09 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.02 1hgg s THR 235 Cb -0.04 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 1hgg s THR 235 CO -0.02 0.07 0.09 -0.63 -0.69 0.00 0.00 174.62 173.44 1hgg s ILE 236 N 0.94 5.09 -0.18 1.82 1.01 -1.26 -0.15 121.20 128.47 1hgg s ILE 236 Ca -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1hgg s ILE 236 Cb -0.10 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 1hgg s ILE 236 CO -0.04 0.56 -0.12 -0.69 0.00 0.00 0.00 174.94 174.65 1hgg s VAL 237 N -0.51 2.83 0.58 2.92 1.01 0.68 -4.95 120.40 122.96 1hgg s VAL 237 Ca 0.11 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1hgg s VAL 237 Cb -0.12 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1hgg s VAL 237 CO 0.02 0.49 0.92 -0.54 0.00 0.00 0.00 175.10 175.99 1hgg s LYS 238 N 1.03 3.27 0.31 2.72 1.02 -1.26 -1.02 119.74 125.81 1hgg s LYS 238 Ca -0.01 0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.99 1hgg s LYS 238 Cb -0.15 -2.22 -0.12 0.00 -0.52 0.00 0.00 37.83 34.82 1hgg s LYS 238 CO -0.03 -0.56 1.49 -2.30 -0.92 0.00 0.00 175.35 173.04 1hgg n PRO 239 N -2.58 2.50 -0.00 -1.68 -0.02 -1.25 -1.20 135.00 130.77 1hgg n PRO 239 Ca 0.04 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1hgg n PRO 239 Cb 0.56 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1hgg n PRO 239 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hgg n GLY 240 N 1.54 2.31 0.06 -1.23 0.00 -0.01 -5.02 105.19 102.84 1hgg n GLY 240 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 1hgg n GLY 240 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hgg n ASP 241 N 0.00 0.02 -3.74 1.61 -0.08 -0.34 -4.84 116.55 109.19 1hgg n ASP 241 Ca 0.00 -1.02 -0.12 0.00 -1.51 0.00 0.00 54.79 52.14 1hgg n ASP 241 Cb 0.00 -0.01 -0.11 0.00 2.34 0.00 0.00 41.12 43.34 1hgg n ASP 241 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1hgg s VAL 242 N 0.11 -0.01 -0.03 5.18 0.11 -1.26 -0.81 120.40 123.69 1hgg s VAL 242 Ca 0.01 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 58.93 1hgg s VAL 242 Cb -0.00 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1hgg s VAL 242 CO 0.01 0.01 0.46 -0.22 -3.33 0.00 0.00 175.10 172.03 1hgg s LEU 243 N 0.56 4.42 -0.13 2.54 2.96 -0.16 -4.16 118.68 124.70 1hgg s LEU 243 Ca -0.03 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1hgg s LEU 243 Cb -0.05 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.98 1hgg s LEU 243 CO -0.03 0.20 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.39 1hgg s VAL 244 N -0.48 1.33 -0.20 1.68 1.01 -0.32 -1.24 120.40 122.19 1hgg s VAL 244 Ca 0.25 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1hgg s VAL 244 Cb -0.17 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1hgg s VAL 244 CO 0.13 0.42 0.04 -0.63 0.00 0.00 0.00 175.10 175.06 1hgg s ILE 245 N 1.57 4.35 -0.08 2.22 1.01 -0.41 -1.94 121.20 127.91 1hgg s ILE 245 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.52 1hgg s ILE 245 Cb -0.13 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.39 1hgg s ILE 245 CO -0.09 0.43 -0.05 0.21 0.00 0.00 0.00 174.94 175.43 1hgg s ASN 246 N 0.82 1.72 0.11 3.58 3.84 -0.12 -0.87 114.94 124.02 1hgg s ASN 246 Ca 0.02 -0.20 -0.13 0.00 0.21 0.00 0.00 52.86 52.76 1hgg s ASN 246 Cb -0.14 -0.64 0.02 0.00 -0.55 0.00 0.00 41.25 39.94 1hgg s ASN 246 CO 0.02 -0.11 0.32 -0.55 -2.79 0.00 0.00 177.10 173.99 1hgg s SER 247 N 1.53 -0.10 -0.03 -4.21 0.15 -0.30 -0.80 113.70 109.93 1hgg s SER 247 Ca -0.00 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.26 1hgg s SER 247 Cb -0.13 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.68 1hgg s SER 247 CO -0.04 -0.80 0.93 -3.20 1.20 0.00 0.00 173.24 171.32 1hgg n ASN 248 N -0.14 0.93 0.00 5.45 4.05 -0.98 0.36 115.26 124.93 1hgg n ASN 248 Ca -0.16 -2.05 0.00 0.00 0.45 0.00 0.00 54.58 52.82 1hgg n ASN 248 Cb 0.63 -0.18 0.00 0.00 1.23 0.00 0.00 39.78 41.46 1hgg n ASN 248 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1hgg n GLY 249 N -0.45 4.19 2.68 8.20 0.00 -1.26 -4.67 105.19 113.89 1hgg n GLY 249 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1hgg n GLY 249 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hgg n ASN 250 N 0.00 -3.64 -4.73 1.61 4.13 -1.26 -2.82 115.26 108.55 1hgg n ASN 250 Ca 0.00 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.85 1hgg n ASN 250 Cb 0.00 -1.84 -0.04 0.00 -1.54 0.00 0.00 39.78 36.36 1hgg n ASN 250 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1hgg s LEU 251 N 0.00 4.45 -0.45 3.41 2.96 -1.26 -0.37 118.68 127.41 1hgg s LEU 251 Ca 0.00 2.04 -0.13 0.00 -0.22 0.00 0.00 54.13 55.82 1hgg s LEU 251 Cb 0.00 -3.59 0.08 0.00 0.50 0.00 0.00 46.19 43.17 1hgg s LEU 251 CO 0.00 -0.30 0.35 -0.63 -1.32 0.00 0.00 176.35 174.45 1hgg s ILE 252 N 0.20 4.86 0.46 6.68 -1.09 -0.74 -3.33 121.20 128.24 1hgg s ILE 252 Ca 0.52 -1.20 -0.19 0.00 -2.23 0.00 0.00 60.65 57.56 1hgg s ILE 252 Cb -0.29 -3.93 -0.09 0.00 -1.58 0.00 0.00 42.46 36.57 1hgg s ILE 252 CO 0.33 -0.56 0.95 0.00 -1.23 0.00 0.00 174.94 174.43 1hgg s ALA 253 N 1.56 3.08 0.59 9.38 0.00 -0.11 -1.95 121.76 134.30 1hgg s ALA 253 Ca 0.04 0.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1hgg s ALA 253 Cb -0.24 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1hgg s ALA 253 CO 0.05 -0.01 1.03 -1.25 0.00 0.00 0.00 175.76 175.58 1hgg s PRO 254 N -3.55 3.49 0.00 0.00 0.04 -1.26 0.22 135.00 133.94 1hgg s PRO 254 Ca 0.60 1.05 0.20 0.00 0.04 0.00 0.00 61.00 62.89 1hgg s PRO 254 Cb -0.09 -2.06 0.28 0.00 0.04 0.00 0.00 34.50 32.66 1hgg s PRO 254 CO 0.21 -0.66 1.25 0.54 0.04 0.00 0.00 177.00 178.38 1hgg n ARG 255 N -2.11 2.13 -0.36 4.56 1.74 -1.15 -4.71 116.66 116.77 1hgg n ARG 255 Ca 0.08 -1.96 0.00 0.00 -0.77 0.00 0.00 57.85 55.20 1hgg n ARG 255 Cb 0.53 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1hgg n ARG 255 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hgg n GLY 256 N 1.23 -0.19 3.17 -0.13 0.00 -1.26 -1.32 105.19 106.69 1hgg n GLY 256 Ca 0.15 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 1hgg n GLY 256 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hgg s TYR 257 N -3.88 1.31 0.13 1.61 1.13 -0.34 -4.67 117.35 112.63 1hgg s TYR 257 Ca 0.00 -0.39 -0.21 0.00 -1.41 0.00 0.00 57.07 55.06 1hgg s TYR 257 Cb 0.00 -0.76 -0.07 0.00 -1.10 0.00 0.00 41.96 40.03 1hgg s TYR 257 CO 0.00 0.06 0.66 -0.06 -2.51 0.00 0.00 175.55 173.69 1hgg s PHE 258 N -0.99 3.81 -0.06 -3.49 0.40 -0.37 -0.92 117.98 116.36 1hgg s PHE 258 Ca 0.01 1.40 -0.11 0.00 -0.60 0.00 0.00 56.93 57.63 1hgg s PHE 258 Cb -0.09 -2.60 -0.05 0.00 0.51 0.00 0.00 43.02 40.80 1hgg s PHE 258 CO 0.02 0.52 0.28 -1.59 0.70 0.00 0.00 175.22 175.15 1hgg s LYS 259 N -1.28 3.70 -0.01 0.44 -2.85 -0.76 -1.25 119.74 117.73 1hgg s LYS 259 Ca 0.33 0.14 -0.11 0.00 -1.00 0.00 0.00 55.97 55.34 1hgg s LYS 259 Cb -0.20 -3.21 -0.05 0.00 -2.06 0.00 0.00 37.83 32.31 1hgg s LYS 259 CO 0.22 0.72 0.33 -1.64 0.10 0.00 0.00 175.35 175.08 1hgg s MET 260 N -1.01 3.74 0.25 1.78 -1.94 -1.23 -4.74 119.30 116.15 1hgg s MET 260 Ca 0.19 0.19 0.02 0.00 -1.71 0.00 0.00 55.69 54.38 1hgg s MET 260 Cb -0.14 -3.15 -0.01 0.00 2.01 0.00 0.00 34.83 33.54 1hgg s MET 260 CO 0.09 0.68 0.07 2.89 -0.01 0.00 0.00 175.02 178.73 1hgg n ARG 261 N 1.58 0.83 -3.91 2.03 1.85 -1.26 -4.77 116.66 113.02 1hgg n ARG 261 Ca -0.14 -2.06 -0.28 0.00 -1.00 0.00 0.00 57.85 54.38 1hgg n ARG 261 Cb 0.53 1.01 -0.17 0.00 -1.05 0.00 0.00 32.46 32.78 1hgg n ARG 261 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1hgg s THR 262 N -2.37 1.13 0.00 8.89 2.01 -1.26 -4.36 115.64 119.67 1hgg s THR 262 Ca 0.10 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1hgg s THR 262 Cb 0.00 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.30 1hgg s THR 262 CO 0.07 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 1hgg n GLY 263 N 4.89 3.08 1.28 4.40 0.00 -1.26 -5.03 105.19 112.55 1hgg n GLY 263 Ca -0.13 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.41 1hgg n GLY 263 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1hgg n LYS 264 N 0.00 3.47 -3.05 1.61 2.85 -1.26 -4.99 118.16 116.79 1hgg n LYS 264 Ca 0.00 -2.98 -0.33 0.00 -1.05 0.00 0.00 58.31 53.96 1hgg n LYS 264 Cb 0.00 -2.00 -0.06 0.00 -0.65 0.00 0.00 35.03 32.32 1hgg n LYS 264 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1hgg s SER 265 N -1.58 6.83 0.29 -5.58 0.01 -1.26 -4.89 113.70 107.53 1hgg s SER 265 Ca 0.47 1.40 -0.08 0.00 1.31 0.00 0.00 55.95 59.05 1hgg s SER 265 Cb 0.38 -2.42 0.03 0.00 0.21 0.00 0.00 66.02 64.22 1hgg s SER 265 CO 0.11 -0.24 0.53 -0.24 0.41 0.00 0.00 173.24 173.80 1hgg n SER 266 N -0.41 -1.52 -4.31 2.44 2.88 -0.67 -3.80 113.62 108.24 1hgg n SER 266 Ca 0.04 -2.32 -0.21 0.00 -1.33 0.00 0.00 58.87 55.05 1hgg n SER 266 Cb 0.53 2.61 -0.11 0.00 -0.75 0.00 0.00 64.21 66.49 1hgg n SER 266 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1hgg s ILE 267 N -2.46 1.73 -0.09 2.46 2.07 -1.26 -1.51 121.20 122.13 1hgg s ILE 267 Ca 0.16 -1.85 -0.06 0.00 -1.41 0.00 0.00 60.65 57.48 1hgg s ILE 267 Cb -0.03 -1.77 0.03 0.00 0.13 0.00 0.00 42.46 40.83 1hgg s ILE 267 CO 0.12 -0.31 0.23 -0.32 -1.91 0.00 0.00 174.94 172.75 1hgg s MET 268 N -2.70 0.23 -0.23 3.50 -2.45 0.18 -4.87 119.30 112.96 1hgg s MET 268 Ca 0.14 0.42 -0.14 0.00 -1.25 0.00 0.00 55.69 54.85 1hgg s MET 268 Cb -0.06 -0.00 -0.04 0.00 1.25 0.00 0.00 34.83 35.98 1hgg s MET 268 CO 0.06 -0.10 0.33 1.03 1.05 0.00 0.00 175.02 177.39 1hgg s ARG 269 N 0.70 4.10 -0.21 4.11 0.52 -1.26 -0.68 118.95 126.23 1hgg s ARG 269 Ca -0.05 0.04 -0.27 0.00 -0.52 0.00 0.00 55.73 54.93 1hgg s ARG 269 Cb -0.06 -3.57 0.08 0.00 0.52 0.00 0.00 34.95 31.91 1hgg s ARG 269 CO -0.04 -0.09 0.76 0.45 0.02 0.00 0.00 175.30 176.40 1hgg s SER 270 N 1.23 -0.67 -0.08 0.23 0.15 -0.89 -4.80 113.70 108.87 1hgg s SER 270 Ca 0.15 1.13 0.16 0.00 0.70 0.00 0.00 55.95 58.09 1hgg s SER 270 Cb -0.15 1.09 0.55 0.00 -1.71 0.00 0.00 66.02 65.80 1hgg s SER 270 CO 0.08 -0.34 1.46 0.47 1.20 0.00 0.00 173.24 176.11 1hgg n ASP 271 N 2.06 3.94 -4.77 5.45 8.00 -1.26 -4.42 116.55 125.55 1hgg n ASP 271 Ca -0.15 -2.38 -0.38 0.00 0.71 0.00 0.00 54.79 52.59 1hgg n ASP 271 Cb 0.56 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.19 1hgg n ASP 271 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hgg s ALA 272 N -1.69 3.11 0.39 2.24 0.00 -1.26 -4.98 121.76 119.57 1hgg s ALA 272 Ca 0.40 0.98 -0.27 0.00 0.00 0.00 0.00 51.96 53.07 1hgg s ALA 272 Cb 0.26 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 1hgg s ALA 272 CO 0.20 -0.59 1.37 -2.14 0.00 0.00 0.00 175.76 174.60 1hgg s PRO 273 N -2.40 4.06 0.16 0.00 0.02 -1.26 -4.72 135.00 130.86 1hgg s PRO 273 Ca 0.59 2.33 -0.12 0.00 0.02 0.00 0.00 61.00 63.81 1hgg s PRO 273 Cb -0.31 -2.88 -0.07 0.00 0.02 0.00 0.00 34.50 31.27 1hgg s PRO 273 CO 0.38 -0.48 0.53 0.42 -0.33 0.00 0.00 177.00 177.52 1hgg s ILE 274 N -1.18 4.92 0.18 2.83 1.01 -1.26 -0.21 121.20 127.48 1hgg s ILE 274 Ca 0.54 0.65 -0.04 0.00 0.00 0.00 0.00 60.65 61.81 1hgg s ILE 274 Cb -0.42 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1hgg s ILE 274 CO 0.55 0.15 0.18 -0.62 0.00 0.00 0.00 174.94 175.20 1hgg s ASP 275 N -1.93 0.15 -0.45 3.58 2.15 0.13 -4.85 116.67 115.45 1hgg s ASP 275 Ca 0.40 -1.17 -0.13 0.00 0.43 0.00 0.00 52.55 52.08 1hgg s ASP 275 Cb -0.14 0.39 0.08 0.00 -0.30 0.00 0.00 42.92 42.95 1hgg s ASP 275 CO 0.20 -0.85 0.35 -0.89 -0.17 0.00 0.00 175.17 173.80 1hgg s THR 276 N -4.07 4.88 0.04 1.71 2.01 -1.26 -0.07 115.64 118.89 1hgg s THR 276 Ca 0.28 -1.19 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 1hgg s THR 276 Cb 0.05 -3.94 0.09 0.00 0.01 0.00 0.00 72.50 68.72 1hgg s THR 276 CO 0.06 -0.56 0.88 0.00 -0.69 0.00 0.00 174.62 174.31 1hgg s ILE 278 N -3.21 3.94 -0.25 0.00 1.10 -1.26 -2.98 121.20 118.54 1hgg s ILE 278 Ca 0.06 -0.35 -0.10 0.00 -0.51 0.00 0.00 60.65 59.75 1hgg s ILE 278 Cb -0.01 -2.71 0.10 0.00 0.15 0.00 0.00 42.46 39.99 1hgg s ILE 278 CO -0.07 0.51 0.56 -0.55 -2.11 0.00 0.00 174.94 173.28 1hgg s SER 279 N 0.16 -0.78 0.23 4.50 0.15 0.70 -4.92 113.70 113.74 1hgg s SER 279 Ca -0.01 1.32 0.05 0.00 0.70 0.00 0.00 55.95 58.00 1hgg s SER 279 Cb -0.14 1.64 0.23 0.00 -1.71 0.00 0.00 66.02 66.04 1hgg s SER 279 CO 0.03 -0.22 1.54 -0.33 1.20 0.00 0.00 173.24 175.46 1hgg h GLU 280 N 7.70 0.20 -5.23 5.44 3.07 -1.88 -3.35 114.58 120.54 1hgg h GLU 280 Ca -0.23 -0.15 -0.61 0.00 -0.50 0.00 0.00 59.36 57.87 1hgg h GLU 280 Cb 1.14 0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 28.95 1hgg h GLU 280 CO 0.15 0.77 -0.43 0.00 -1.40 0.00 0.00 179.01 178.10 1hgg s ILE 282 N 0.87 1.92 0.06 0.00 1.01 -0.18 -2.69 121.20 122.19 1hgg s ILE 282 Ca 0.10 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.78 1hgg s ILE 282 Cb -0.13 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1hgg s ILE 282 CO 0.03 0.54 -0.15 -0.89 0.00 0.00 0.00 174.94 174.47 1hgg s THR 283 N -0.41 1.20 -0.03 2.92 2.01 -1.06 -0.54 115.64 119.74 1hgg s THR 283 Ca 0.05 -1.21 0.27 0.00 0.31 0.00 0.00 61.69 61.10 1hgg s THR 283 Cb -0.11 -1.12 0.27 0.00 0.01 0.00 0.00 72.50 71.55 1hgg s THR 283 CO 0.01 -0.10 1.82 1.55 -0.69 0.00 0.00 174.62 177.21 1hgg h PRO 284 N 4.54 0.00 -0.03 4.92 0.13 -1.87 0.17 132.00 139.86 1hgg h PRO 284 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1hgg h PRO 284 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1hgg h PRO 284 CO 0.42 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.28 1hgg n ASN 285 N -2.44 0.56 0.00 1.44 4.13 -1.26 -4.30 115.26 113.39 1hgg n ASN 285 Ca -0.02 -1.32 0.00 0.00 1.68 0.00 0.00 54.58 54.92 1hgg n ASN 285 Cb 0.05 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1hgg n ASN 285 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hgg n GLY 286 N 1.00 2.52 3.79 7.41 0.00 0.60 -3.52 105.19 117.00 1hgg n GLY 286 Ca 0.19 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1hgg n GLY 286 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hgg s SER 287 N 0.00 6.08 0.03 1.61 0.01 0.21 -2.58 113.70 119.06 1hgg s SER 287 Ca 0.00 1.99 0.03 0.00 1.31 0.00 0.00 55.95 59.28 1hgg s SER 287 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1hgg s SER 287 CO 0.00 -0.97 -0.09 0.27 0.41 0.00 0.00 173.24 172.86 1hgg s ILE 288 N -1.98 0.69 0.08 1.44 -4.36 -1.10 -2.04 121.20 113.93 1hgg s ILE 288 Ca 0.68 -0.86 -0.30 0.00 -0.26 0.00 0.00 60.65 59.91 1hgg s ILE 288 Cb -0.19 -0.67 -0.06 0.00 1.25 0.00 0.00 42.46 42.79 1hgg s ILE 288 CO 0.24 -0.15 1.11 -2.16 0.24 0.00 0.00 174.94 174.23 1hgg s PRO 289 N -1.11 4.51 -0.37 0.37 0.04 -1.26 -4.27 135.00 132.91 1hgg s PRO 289 Ca -0.04 1.66 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1hgg s PRO 289 Cb -0.07 -3.36 0.49 0.00 0.04 0.00 0.00 34.50 31.60 1hgg s PRO 289 CO 0.01 -0.11 1.75 0.27 0.04 0.00 0.00 177.00 178.96 1hgg n ASN 290 N 3.48 4.08 0.05 6.66 6.94 -1.26 -4.11 115.26 131.10 1hgg n ASN 290 Ca 0.06 -3.27 -0.12 0.00 -0.02 0.00 0.00 54.58 51.23 1hgg n ASN 290 Cb 0.47 -0.80 -0.01 0.00 -2.36 0.00 0.00 39.78 37.08 1hgg n ASN 290 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 1hgg h ASP 291 N 0.91 0.54 -3.67 0.53 2.03 -1.95 -3.45 116.42 111.36 1hgg h ASP 291 Ca 0.49 -0.39 -0.49 0.00 -0.73 0.00 0.00 57.03 55.91 1hgg h ASP 291 Cb 2.22 -0.16 0.03 0.00 -0.83 0.00 0.00 39.33 40.59 1hgg h ASP 291 CO 0.91 1.16 0.14 -0.54 -1.03 0.00 0.00 179.24 179.88 1hgg s LYS 292 N -3.47 3.60 0.33 4.15 1.02 -1.26 -5.01 119.74 119.10 1hgg s LYS 292 Ca -0.06 0.31 0.18 0.00 0.02 0.00 0.00 55.97 56.41 1hgg s LYS 292 Cb 0.10 -2.35 0.20 0.00 -0.52 0.00 0.00 37.83 35.25 1hgg s LYS 292 CO 0.86 -0.20 1.52 -1.00 -0.92 0.00 0.00 175.35 175.60 1hgg h PRO 293 N 0.41 0.00 -5.16 -1.68 0.13 -1.87 -3.42 132.00 120.41 1hgg h PRO 293 Ca -0.47 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 1hgg h PRO 293 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1hgg h PRO 293 CO 0.62 0.35 -0.74 -0.06 -0.23 0.00 0.00 178.00 177.94 1hgg s PHE 294 N -3.07 1.22 0.06 1.56 0.08 -0.83 -2.02 117.98 114.97 1hgg s PHE 294 Ca 0.05 -0.62 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 1hgg s PHE 294 Cb 0.07 -0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 41.83 1hgg s PHE 294 CO 0.72 0.07 -0.04 1.14 -0.10 0.00 0.00 175.22 177.01 1hgg s GLN 295 N -2.82 0.63 -0.03 0.44 1.03 0.42 -0.24 119.66 119.09 1hgg s GLN 295 Ca 0.08 -1.18 0.04 0.00 0.04 0.00 0.00 55.36 54.34 1hgg s GLN 295 Cb -0.03 0.09 0.07 0.00 0.03 0.00 0.00 33.01 33.17 1hgg s GLN 295 CO 0.01 -0.08 0.93 -1.71 -2.54 0.00 0.00 175.29 171.91 1hgg n ASN 296 N 0.25 1.44 0.02 12.60 4.05 0.02 -1.08 115.26 132.56 1hgg n ASN 296 Ca -0.15 -2.05 -0.11 0.00 0.45 0.00 0.00 54.58 52.73 1hgg n ASN 296 Cb 0.60 -0.12 -0.08 0.00 1.23 0.00 0.00 39.78 41.41 1hgg n ASN 296 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1hgg h VAL 297 N 1.41 1.01 -1.79 3.44 2.07 -1.86 -3.48 116.25 117.04 1hgg h VAL 297 Ca 0.00 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1hgg h VAL 297 Cb 0.82 1.74 -0.23 0.00 -1.52 0.00 0.00 31.29 32.11 1hgg h VAL 297 CO 0.00 0.28 0.33 0.21 0.02 0.00 0.00 177.57 178.40 1hgg s ASN 298 N -5.63 -0.56 0.14 0.57 3.84 -1.26 -5.00 114.94 107.04 1hgg s ASN 298 Ca -0.13 0.91 0.24 0.00 0.21 0.00 0.00 52.86 54.09 1hgg s ASN 298 Cb -0.00 0.86 0.92 0.00 -0.55 0.00 0.00 41.25 42.48 1hgg s ASN 298 CO 0.50 -0.31 1.73 2.29 -2.79 0.00 0.00 177.10 178.52 1hgg n LYS 299 N 1.78 0.13 -3.32 0.43 2.85 -1.26 -4.56 118.16 114.21 1hgg n LYS 299 Ca -0.14 0.23 -0.40 0.00 -1.05 0.00 0.00 58.31 56.96 1hgg n LYS 299 Cb 0.56 -1.70 -0.08 0.00 -0.65 0.00 0.00 35.03 33.16 1hgg n LYS 299 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1hgg s ILE 300 N -3.12 5.11 0.10 0.58 1.01 -1.26 -5.01 121.20 118.61 1hgg s ILE 300 Ca 0.09 0.59 -0.05 0.00 0.00 0.00 0.00 60.65 61.28 1hgg s ILE 300 Cb 0.12 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1hgg s ILE 300 CO 0.46 0.05 0.11 0.42 0.00 0.00 0.00 174.94 175.98 1hgg s THR 301 N 2.19 0.15 -0.03 2.92 -4.23 -1.26 -4.17 115.64 111.21 1hgg s THR 301 Ca 0.17 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1hgg s THR 301 Cb -0.16 -1.63 0.03 0.00 1.34 0.00 0.00 72.50 72.09 1hgg s THR 301 CO 0.10 -0.67 0.05 -0.47 -0.54 0.00 0.00 174.62 173.10 1hgg s TYR 302 N -3.94 -0.00 0.00 3.99 6.14 0.30 -4.99 117.35 118.85 1hgg s TYR 302 Ca 0.12 0.19 0.00 0.00 0.64 0.00 0.00 57.07 58.02 1hgg s TYR 302 Cb 0.06 -0.23 0.00 0.00 0.42 0.00 0.00 41.96 42.21 1hgg s TYR 302 CO -0.06 -0.11 0.00 0.41 0.64 0.00 0.00 175.55 176.43 1hgg n GLY 303 N 4.26 -1.10 3.56 8.97 0.00 -1.26 -1.01 105.19 118.60 1hgg n GLY 303 Ca -0.26 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.25 1hgg n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hgg s ALA 304 N -2.00 2.48 0.24 4.61 0.00 -1.17 -4.87 121.76 121.05 1hgg s ALA 304 Ca 0.00 -2.04 0.11 0.00 0.00 0.00 0.00 51.96 50.02 1hgg s ALA 304 Cb 0.00 -4.52 -0.05 0.00 0.00 0.00 0.00 23.12 18.55 1hgg s ALA 304 CO 0.00 -3.86 -0.12 0.00 0.00 0.00 0.00 175.76 171.77 1hgg s PRO 306 N -3.30 2.33 0.01 0.00 0.02 -1.26 -4.95 135.00 127.85 1hgg s PRO 306 Ca 0.28 1.27 -0.30 0.00 0.02 0.00 0.00 61.00 62.27 1hgg s PRO 306 Cb -0.07 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 1hgg s PRO 306 CO 0.16 -1.60 1.18 0.15 -0.33 0.00 0.00 177.00 176.55 1hgg s LYS 307 N -4.64 4.42 0.32 5.54 1.02 -0.86 -4.47 119.74 121.07 1hgg s LYS 307 Ca 0.63 1.70 -0.29 0.00 0.02 0.00 0.00 55.97 58.03 1hgg s LYS 307 Cb -0.19 -3.44 -0.10 0.00 -0.52 0.00 0.00 37.83 33.58 1hgg s LYS 307 CO 0.52 -0.31 1.35 -0.47 -0.92 0.00 0.00 175.35 175.53 1hgg s TYR 308 N 1.49 2.99 0.05 3.18 5.04 -1.26 -0.44 117.35 128.40 1hgg s TYR 308 Ca 0.57 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.52 1hgg s TYR 308 Cb -0.27 -3.75 -0.03 0.00 0.35 0.00 0.00 41.96 38.26 1hgg s TYR 308 CO 0.26 -2.15 -0.05 0.54 -1.34 0.00 0.00 175.55 172.82 1hgg s VAL 309 N -0.92 0.37 0.13 3.14 0.11 -0.24 -4.86 120.40 118.13 1hgg s VAL 309 Ca 0.51 -1.51 -0.09 0.00 -2.93 0.00 0.00 61.98 57.97 1hgg s VAL 309 Cb -0.41 -1.12 -0.15 0.00 -1.53 0.00 0.00 36.38 33.17 1hgg s VAL 309 CO 0.52 -0.75 1.34 0.11 -3.33 0.00 0.00 175.10 172.99 1hgg h LYS 310 N 3.67 0.64 -6.93 1.54 1.57 -1.96 -3.41 116.57 111.70 1hgg h LYS 310 Ca -0.34 -0.54 -0.53 0.00 -1.87 0.00 0.00 60.65 57.36 1hgg h LYS 310 Cb 1.17 0.12 0.09 0.00 0.08 0.00 0.00 32.23 33.69 1hgg h LYS 310 CO 0.56 1.16 0.71 -0.65 -0.57 0.00 0.00 179.45 180.66 1hgg s GLN 311 N -3.64 4.16 0.09 3.15 1.11 -1.26 -4.96 119.66 118.30 1hgg s GLN 311 Ca -0.08 2.41 0.23 0.00 0.01 0.00 0.00 55.36 57.92 1hgg s GLN 311 Cb 0.09 -2.97 -0.04 0.00 -1.01 0.00 0.00 33.01 29.09 1hgg s GLN 311 CO 0.88 -0.43 0.93 0.27 0.01 0.00 0.00 175.29 176.96 1hgg n ASN 312 N 0.51 0.57 -3.82 5.90 0.23 -1.26 -4.68 115.26 112.71 1hgg n ASN 312 Ca 0.01 0.01 -0.14 0.00 -0.53 0.00 0.00 54.58 53.94 1hgg n ASN 312 Cb 0.41 0.90 -0.15 0.00 -2.08 0.00 0.00 39.78 38.86 1hgg n ASN 312 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1hgg s THR 313 N -3.31 -0.02 -0.20 5.53 -1.32 -1.26 -4.81 115.64 110.24 1hgg s THR 313 Ca 0.00 0.10 -0.04 0.00 -1.21 0.00 0.00 61.69 60.54 1hgg s THR 313 Cb 0.13 -0.05 0.08 0.00 -1.51 0.00 0.00 72.50 71.15 1hgg s THR 313 CO 0.82 0.05 0.15 -0.76 -2.21 0.00 0.00 174.62 172.66 1hgg s LEU 314 N 0.52 0.21 -0.23 9.08 1.43 -1.26 -4.99 118.68 123.43 1hgg s LEU 314 Ca -0.04 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 1hgg s LEU 314 Cb -0.06 -0.03 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 1hgg s LEU 314 CO -0.01 -0.36 0.30 -0.54 0.23 0.00 0.00 176.35 175.97 1hgg s LYS 315 N 2.20 4.10 -0.32 1.70 1.02 -1.26 -0.68 119.74 126.50 1hgg s LYS 315 Ca 0.05 -0.02 -0.17 0.00 0.02 0.00 0.00 55.97 55.84 1hgg s LYS 315 Cb -0.16 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 1hgg s LYS 315 CO -0.15 -0.05 0.49 -1.17 -0.92 0.00 0.00 175.35 173.55 1hgg s LEU 316 N 1.36 4.24 0.27 3.17 2.96 0.71 -4.64 118.68 126.75 1hgg s LEU 316 Ca 0.14 0.13 -0.31 0.00 -0.22 0.00 0.00 54.13 53.88 1hgg s LEU 316 Cb -0.14 -2.57 -0.12 0.00 0.50 0.00 0.00 46.19 43.85 1hgg s LEU 316 CO 0.07 -0.39 1.55 0.00 -1.32 0.00 0.00 176.35 176.26 1hgg n ALA 317 N 5.63 2.14 -1.48 5.97 0.00 -1.26 -0.43 120.51 131.08 1hgg n ALA 317 Ca -0.05 0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.84 1hgg n ALA 317 Cb 0.49 -2.41 0.17 0.00 0.00 0.00 0.00 19.45 17.70 1hgg n ALA 317 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1hgg n THR 318 N 2.18 1.89 -3.85 0.00 -2.24 -0.19 -4.85 114.28 107.23 1hgg n THR 318 Ca 0.10 -2.66 -0.07 0.00 -2.27 0.00 0.00 64.05 59.16 1hgg n THR 318 Cb 0.35 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 1hgg n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1hgg s GLY 319 N -2.96 -0.08 1.20 3.38 0.00 -1.15 -4.78 107.32 102.92 1hgg s GLY 319 Ca 0.34 -0.29 -0.20 0.00 0.00 0.00 0.00 44.72 44.58 1hgg s GLY 319 CO -0.04 -0.08 1.15 -3.16 0.00 0.00 0.00 173.10 170.97 1hgg s MET 320 N -3.78 -1.25 0.53 2.90 0.23 -1.26 -4.45 119.30 112.22 1hgg s MET 320 Ca 0.11 -0.22 -0.21 0.00 -1.03 0.00 0.00 55.69 54.35 1hgg s MET 320 Cb -0.05 -1.61 -0.05 0.00 -1.53 0.00 0.00 34.83 31.58 1hgg s MET 320 CO 0.07 -3.70 1.23 0.50 -2.03 0.00 0.00 175.02 171.08 1hgg s ARG 321 N -5.55 3.32 -0.46 3.16 3.52 -1.26 -1.24 118.95 120.44 1hgg s ARG 321 Ca 0.72 1.90 -0.17 0.00 -0.13 0.00 0.00 55.73 58.06 1hgg s ARG 321 Cb -0.07 -2.19 0.05 0.00 -1.56 0.00 0.00 34.95 31.18 1hgg s ARG 321 CO 0.55 -0.95 0.44 1.21 -0.81 0.00 0.00 175.30 175.74 1hgg s ASN 322 N -1.36 6.17 -0.75 -2.12 2.47 -0.75 -4.53 114.94 114.07 1hgg s ASN 322 Ca 0.71 -1.01 0.03 0.00 0.42 0.00 0.00 52.86 53.01 1hgg s ASN 322 Cb -0.32 -2.21 0.20 0.00 -1.45 0.00 0.00 41.25 37.47 1hgg s ASN 322 CO 0.37 -0.65 0.65 0.52 -3.72 0.00 0.00 177.10 174.27 1hgg n VAL 323 N 5.34 2.24 -0.92 -5.21 0.31 -1.26 -4.88 118.33 113.94 1hgg n VAL 323 Ca -0.10 -5.03 -0.31 0.00 -0.01 0.00 0.00 64.34 58.89 1hgg n VAL 323 Cb 0.45 -2.21 0.14 0.00 -0.91 0.00 0.00 33.84 31.31 1hgg n VAL 323 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1hgg s PRO 324 N -1.69 1.38 -0.07 5.55 0.04 -1.26 -4.89 135.00 134.06 1hgg s PRO 324 Ca 0.29 1.33 0.19 0.00 0.04 0.00 0.00 61.00 62.85 1hgg s PRO 324 Cb -0.01 -1.78 -0.24 0.00 0.04 0.00 0.00 34.50 32.50 1hgg s PRO 324 CO -0.12 -2.31 0.41 -1.91 0.04 0.00 0.00 177.00 173.11 1hgg n GLU 325 N -3.99 0.66 0.00 4.56 2.13 -1.26 -5.01 120.64 117.73 1hgg n GLU 325 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1hgg n GLU 325 Cb 0.53 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.63 1hgg n GLU 325 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1hgg n LYS 326 N -2.65 1.03 0.00 5.31 5.02 -1.26 -5.05 118.16 120.56 1hgg n LYS 326 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1hgg n LYS 326 Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.90 1hgg n LYS 326 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hgg n GLN 327 N 0.00 3.09 0.00 1.97 0.00 -1.26 -5.27 117.38 115.90 1hgg n GLN 327 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.00 57.14 1hgg n GLN 327 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 30.24 30.74 1hgg n GLN 327 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47