#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 6.68 -0.37 1.69 2.15 -1.26 -4.98 116.67 120.58 1hgg s ASP 2 Ca 0.00 2.58 -0.04 0.00 0.43 0.00 0.00 52.55 55.52 1hgg s ASP 2 Cb 0.00 -2.61 0.08 0.00 -0.30 0.00 0.00 42.92 40.09 1hgg s ASP 2 CO 0.00 -0.72 0.14 -0.76 -0.17 0.00 0.00 175.17 173.66 1hgg s LEU 3 N 0.31 4.72 0.52 -1.34 1.02 -1.26 -5.00 118.68 117.66 1hgg s LEU 3 Ca 0.63 -1.59 0.30 0.00 0.02 0.00 0.00 54.13 53.49 1hgg s LEU 3 Cb -0.41 -1.83 1.44 0.00 0.02 0.00 0.00 46.19 45.40 1hgg s LEU 3 CO 0.37 -0.43 1.89 -0.65 0.02 0.00 0.00 176.35 177.55 1hgg h PRO 4 N 8.12 0.05 0.00 1.29 0.11 -1.95 -3.46 132.00 136.16 1hgg h PRO 4 Ca -0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1hgg h PRO 4 Cb 1.06 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1hgg h PRO 4 CO 0.65 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.88 1hgg n GLY 5 N -1.69 1.12 2.03 -0.55 0.00 -1.26 -4.17 105.19 100.67 1hgg n GLY 5 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1hgg n GLY 5 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hgg n ASN 6 N 2.47 -0.60 -4.77 1.61 2.85 -1.26 -5.12 115.26 110.45 1hgg n ASN 6 Ca 0.00 0.29 -0.39 0.00 -0.11 0.00 0.00 54.58 54.38 1hgg n ASN 6 Cb 0.00 0.71 0.00 0.00 1.24 0.00 0.00 39.78 41.73 1hgg n ASN 6 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1hgg s ASP 7 N -4.25 6.11 -0.28 1.20 2.15 -1.26 -5.01 116.67 115.32 1hgg s ASP 7 Ca 0.00 2.61 -0.00 0.00 0.43 0.00 0.00 52.55 55.59 1hgg s ASP 7 Cb 0.00 -2.63 0.09 0.00 -0.30 0.00 0.00 42.92 40.08 1hgg s ASP 7 CO 0.00 -0.98 0.05 0.21 -0.17 0.00 0.00 175.17 174.28 1hgg s ASN 8 N -0.88 3.92 0.36 -0.34 3.04 -1.26 -5.02 114.94 114.75 1hgg s ASN 8 Ca 0.61 -1.49 -0.11 0.00 0.04 0.00 0.00 52.86 51.90 1hgg s ASN 8 Cb -0.37 -0.98 0.05 0.00 -1.54 0.00 0.00 41.25 38.41 1hgg s ASN 8 CO 0.46 -0.36 0.68 -1.54 -3.04 0.00 0.00 177.10 173.30 1hgg n SER 9 N 4.77 -1.96 -4.25 -4.21 3.41 -1.26 -5.18 113.62 104.94 1hgg n SER 9 Ca -0.04 -2.53 -0.23 0.00 -0.26 0.00 0.00 58.87 55.81 1hgg n SER 9 Cb 0.43 3.32 -0.09 0.00 -0.26 0.00 0.00 64.21 67.61 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 -2.29 0.78 0.14 6.66 -4.23 -1.26 -5.18 115.64 110.27 1hgg s THR 10 Ca 0.17 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1hgg s THR 10 Cb -0.04 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1hgg s THR 10 CO 0.13 0.00 0.04 0.00 -0.54 0.00 0.00 174.62 174.25 1hgg s ALA 11 N -3.30 1.02 -0.03 3.99 0.00 -1.26 -5.16 121.76 117.01 1hgg s ALA 11 Ca 0.30 -1.51 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1hgg s ALA 11 Cb 0.05 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.94 1hgg s ALA 11 CO 0.15 -0.44 -0.14 0.99 0.00 0.00 0.00 175.76 176.32 1hgg s THR 12 N -3.93 1.17 -0.09 0.00 2.01 -1.26 -5.12 115.64 108.43 1hgg s THR 12 Ca 0.24 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.68 1hgg s THR 12 Cb 0.07 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.58 1hgg s THR 12 CO 0.02 0.34 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.92 1hgg s LEU 13 N 0.01 1.76 -0.05 4.42 2.96 -1.26 -5.13 118.68 121.38 1hgg s LEU 13 Ca -0.02 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.56 1hgg s LEU 13 Cb -0.09 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 1hgg s LEU 13 CO 0.01 0.05 -0.23 0.00 -1.32 0.00 0.00 176.35 174.86 1hgg s LEU 15 N -0.14 4.24 0.00 0.00 1.02 -1.26 -5.09 118.68 117.46 1hgg s LEU 15 Ca -0.03 0.58 -0.09 0.00 0.02 0.00 0.00 54.13 54.61 1hgg s LEU 15 Cb -0.13 -3.32 0.04 0.00 0.02 0.00 0.00 46.19 42.80 1hgg s LEU 15 CO 0.03 0.02 0.50 0.61 0.02 0.00 0.00 176.35 177.53 1hgg n GLY 16 N -0.09 1.39 3.17 -3.19 0.00 -1.26 -5.18 105.19 100.03 1hgg n GLY 16 Ca -0.03 -1.18 -0.10 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 -4.59 0.88 1.11 1.61 -3.43 -1.26 -5.16 115.29 104.45 1hgg s HIS 17 Ca 0.10 -0.96 -0.16 0.00 -0.80 0.00 0.00 55.06 53.25 1hgg s HIS 17 Cb -0.03 -0.52 0.24 0.00 -1.43 0.00 0.00 32.58 30.85 1hgg s HIS 17 CO 0.08 -0.20 1.09 -3.38 -2.00 0.00 0.00 174.74 170.33 1hgg s HIS 18 N -3.69 1.30 -0.00 0.38 -3.43 -1.26 -5.09 115.29 103.50 1hgg s HIS 18 Ca 0.13 0.76 -0.23 0.00 -0.80 0.00 0.00 55.06 54.92 1hgg s HIS 18 Cb 0.06 -3.34 0.05 0.00 -1.43 0.00 0.00 32.58 27.92 1hgg s HIS 18 CO -0.04 -3.44 0.51 0.00 -2.00 0.00 0.00 174.74 169.77 1hgg s ALA 19 N -2.95 -1.30 0.16 -1.38 0.00 -1.26 -4.75 121.76 110.28 1hgg s ALA 19 Ca 0.68 0.74 0.10 0.00 0.00 0.00 0.00 51.96 53.48 1hgg s ALA 19 Cb -0.15 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1hgg s ALA 19 CO 0.57 -0.39 -0.21 0.14 0.00 0.00 0.00 175.76 175.87 1hgg s VAL 20 N -1.75 2.57 0.13 0.00 -7.23 -1.26 -5.02 120.40 107.85 1hgg s VAL 20 Ca -0.09 -1.81 -0.13 0.00 -1.81 0.00 0.00 61.98 58.14 1hgg s VAL 20 Cb -0.02 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 1hgg s VAL 20 CO 0.04 -0.03 1.54 1.55 -0.31 0.00 0.00 175.10 177.88 1hgg h PRO 21 N 3.40 0.82 0.00 4.82 0.13 -1.98 -3.40 132.00 135.78 1hgg h PRO 21 Ca -0.48 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1hgg h PRO 21 Cb 1.19 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1hgg h PRO 21 CO 0.47 0.94 0.00 0.27 -0.23 0.00 0.00 178.00 179.45 1hgg n ASN 22 N -4.30 0.00 0.00 1.44 6.94 -1.26 -4.66 115.26 113.43 1hgg n ASN 22 Ca -0.01 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 1hgg n ASN 22 Cb 0.38 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 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 2.04 -1.87 2.96 4.83 0.00 -1.26 -5.02 105.19 106.87 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 -2.78 0.01 0.11 2.61 2.01 0.06 -4.92 115.64 112.74 1hgg s THR 24 Ca 0.00 -0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.67 1hgg s THR 24 Cb 0.00 -0.13 -0.07 0.00 0.01 0.00 0.00 72.50 72.31 1hgg s THR 24 CO 0.00 -0.05 0.72 -0.76 -0.69 0.00 0.00 174.62 173.83 1hgg s LEU 25 N -0.14 4.54 0.17 4.42 1.43 -1.26 -0.38 118.68 127.46 1hgg s LEU 25 Ca -0.02 1.49 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 1hgg s LEU 25 Cb -0.02 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 1hgg s LEU 25 CO 0.00 0.18 -0.06 0.68 0.23 0.00 0.00 176.35 177.37 1hgg s VAL 26 N -0.84 1.07 0.39 -1.59 -7.23 0.42 -4.87 120.40 107.76 1hgg s VAL 26 Ca 0.34 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1hgg s VAL 26 Cb -0.21 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1hgg s VAL 26 CO 0.23 -0.60 0.68 -0.54 -0.31 0.00 0.00 175.10 174.56 1hgg s LYS 27 N -3.80 3.60 0.31 4.82 1.02 -1.25 -1.07 119.74 123.37 1hgg s LYS 27 Ca 0.21 0.09 0.04 0.00 0.02 0.00 0.00 55.97 56.33 1hgg s LYS 27 Cb 0.04 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 1hgg s LYS 27 CO 0.03 0.00 0.30 0.99 -0.92 0.00 0.00 175.35 175.75 1hgg s THR 28 N -2.42 0.00 0.07 2.17 2.01 0.12 -4.94 115.64 112.65 1hgg s THR 28 Ca 0.46 -1.91 -0.18 0.00 0.31 0.00 0.00 61.69 60.37 1hgg s THR 28 Cb -0.10 -2.52 -0.10 0.00 0.01 0.00 0.00 72.50 69.79 1hgg s THR 28 CO 0.37 0.00 1.44 0.40 -0.69 0.00 0.00 174.62 176.13 1hgg h ILE 29 N 2.22 1.30 0.00 1.82 1.08 -2.02 -3.36 117.51 118.55 1hgg h ILE 29 Ca -0.27 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.01 1hgg h ILE 29 Cb 1.24 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 1hgg h ILE 29 CO 0.40 0.37 -1.22 0.35 -0.69 0.00 0.00 178.15 177.35 1hgg n THR 30 N -4.50 0.09 -4.10 -0.27 -2.24 -1.26 -4.97 114.28 97.02 1hgg n THR 30 Ca -0.04 -0.23 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 1hgg n THR 30 Cb 0.34 0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 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 -3.80 0.64 0.00 3.42 1.01 -1.26 -5.07 116.67 111.61 1hgg s ASP 31 Ca 0.02 -0.94 0.03 0.00 0.71 0.00 0.00 52.55 52.37 1hgg s ASP 31 Cb 0.15 0.16 0.01 0.00 1.01 0.00 0.00 42.92 44.25 1hgg s ASP 31 CO 0.84 -0.53 0.46 -0.90 0.21 0.00 0.00 175.17 175.26 1hgg n ASP 32 N 0.24 0.94 -3.65 0.27 5.75 -1.26 0.11 116.55 118.96 1hgg n ASP 32 Ca -0.15 -0.97 -0.28 0.00 -0.01 0.00 0.00 54.79 53.38 1hgg n ASP 32 Cb 0.60 0.27 -0.16 0.00 -1.03 0.00 0.00 41.12 40.80 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 -0.51 0.42 -0.01 0.11 -0.21 -1.24 -3.89 119.66 114.33 1hgg s GLN 33 Ca 0.03 -0.59 0.07 0.00 0.02 0.00 0.00 55.36 54.88 1hgg s GLN 33 Cb 0.02 -1.70 -0.02 0.00 1.00 0.00 0.00 33.01 32.31 1hgg s GLN 33 CO 0.06 -0.88 -0.22 -1.50 -2.12 0.00 0.00 175.29 170.63 1hgg s ILE 34 N 1.92 1.74 -0.11 1.08 1.10 -0.23 -4.88 121.20 121.82 1hgg s ILE 34 Ca 0.06 -0.99 -0.16 0.00 -0.51 0.00 0.00 60.65 59.05 1hgg s ILE 34 Cb -0.17 -1.46 -0.05 0.00 0.15 0.00 0.00 42.46 40.94 1hgg s ILE 34 CO -0.23 0.44 0.39 -0.70 -2.11 0.00 0.00 174.94 172.73 1hgg s GLU 35 N -0.64 4.21 0.24 3.50 2.12 -1.26 -0.44 118.70 126.43 1hgg s GLU 35 Ca 0.08 0.30 0.10 0.00 0.36 0.00 0.00 54.97 55.82 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 -0.18 0.14 -0.54 0.00 0.00 175.26 174.98 1hgg s VAL 36 N 0.19 2.17 0.32 3.70 -7.23 0.49 -1.71 120.40 118.31 1hgg s VAL 36 Ca 0.22 -2.30 0.09 0.00 -1.81 0.00 0.00 61.98 58.18 1hgg s VAL 36 Cb -0.15 -2.17 0.31 0.00 0.56 0.00 0.00 36.38 34.93 1hgg s VAL 36 CO 0.08 -0.46 1.72 0.74 -0.31 0.00 0.00 175.10 176.87 1hgg h THR 37 N 2.46 0.50 -1.91 5.32 2.02 -1.35 0.22 112.91 120.17 1hgg h THR 37 Ca -0.40 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 66.64 1hgg h THR 37 Cb 1.24 -0.07 -0.20 0.00 -1.74 0.00 0.00 68.15 67.39 1hgg h THR 37 CO 0.60 0.10 0.41 0.21 0.37 0.00 0.00 175.52 177.21 1hgg s ASN 38 N -5.16 -0.47 0.27 4.18 2.47 -1.26 -4.43 114.94 110.53 1hgg s ASN 38 Ca -0.11 0.39 -0.03 0.00 0.42 0.00 0.00 52.86 53.54 1hgg s ASN 38 Cb 0.27 0.40 -0.02 0.00 -1.45 0.00 0.00 41.25 40.46 1hgg s ASN 38 CO 0.79 -0.51 0.33 0.00 -3.72 0.00 0.00 177.10 173.99 1hgg s ALA 39 N -1.67 0.81 0.02 1.71 0.00 -1.26 -1.11 121.76 120.26 1hgg s ALA 39 Ca -0.03 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1hgg s ALA 39 Cb -0.00 1.26 -0.02 0.00 0.00 0.00 0.00 23.12 24.36 1hgg s ALA 39 CO 0.01 -0.72 -0.04 -0.08 0.00 0.00 0.00 175.76 174.93 1hgg s THR 40 N -3.72 0.28 -0.03 0.00 -1.32 0.25 -4.77 115.64 106.32 1hgg s THR 40 Ca 0.33 -0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 59.83 1hgg s THR 40 Cb 0.02 -0.35 -0.04 0.00 -1.51 0.00 0.00 72.50 70.62 1hgg s THR 40 CO 0.16 -0.31 0.67 -0.70 -2.21 0.00 0.00 174.62 172.23 1hgg s GLU 41 N -1.12 4.41 0.00 7.08 2.56 -1.26 -0.24 118.70 130.13 1hgg s GLU 41 Ca -0.09 0.85 0.16 0.00 0.00 0.00 0.00 54.97 55.88 1hgg s GLU 41 Cb -0.08 -3.40 -0.06 0.00 2.00 0.00 0.00 34.13 32.59 1hgg s GLU 41 CO -0.00 0.19 0.79 1.28 -0.56 0.00 0.00 175.26 176.96 1hgg n LEU 42 N 3.30 1.32 -4.35 2.70 4.77 0.14 -4.90 117.00 119.98 1hgg n LEU 42 Ca -0.03 -0.67 -0.37 0.00 -0.03 0.00 0.00 56.01 54.90 1hgg n LEU 42 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1hgg n LEU 42 CO 0.46 0.27 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.83 1hgg s VAL 43 N -2.10 4.02 -0.13 4.08 1.01 -1.26 -2.07 120.40 123.94 1hgg s VAL 43 Ca 0.11 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1hgg s VAL 43 Cb 0.13 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1hgg s VAL 43 CO 0.49 0.05 1.17 -1.58 0.00 0.00 0.00 175.10 175.22 1hgg s GLN 44 N 1.50 4.31 -0.10 2.72 2.00 0.26 -4.86 119.66 125.49 1hgg s GLN 44 Ca 0.02 1.58 0.15 0.00 -2.00 0.00 0.00 55.36 55.11 1hgg s GLN 44 Cb -0.17 -3.64 0.31 0.00 0.80 0.00 0.00 33.01 30.30 1hgg s GLN 44 CO 0.03 -0.55 1.15 -1.13 -0.50 0.00 0.00 175.29 174.29 1hgg n SER 45 N 5.84 1.36 -3.63 6.67 3.41 -1.26 -0.93 113.62 125.07 1hgg n SER 45 Ca 0.12 -2.86 -0.11 0.00 -0.26 0.00 0.00 58.87 55.75 1hgg n SER 45 Cb 0.46 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.41 -0.83 0.29 4.04 1.04 -1.26 -4.77 113.70 109.81 1hgg s SER 46 Ca 0.28 1.47 0.05 0.00 0.48 0.00 0.00 55.95 58.23 1hgg s SER 46 Cb 0.28 1.43 -0.02 0.00 0.10 0.00 0.00 66.02 67.81 1hgg s SER 46 CO -0.06 -0.25 0.43 -0.55 0.98 0.00 0.00 173.24 173.80 1hgg s SER 47 N 0.87 6.16 0.51 7.02 0.15 -1.26 -4.80 113.70 122.34 1hgg s SER 47 Ca -0.04 0.00 0.29 0.00 0.70 0.00 0.00 55.95 56.91 1hgg s SER 47 Cb -0.05 -1.61 0.96 0.00 -1.71 0.00 0.00 66.02 63.62 1hgg s SER 47 CO -0.07 -0.26 1.84 0.71 1.20 0.00 0.00 173.24 176.66 1hgg h THR 48 N 1.00 0.00 0.00 6.45 1.35 -1.70 -3.47 112.91 116.54 1hgg h THR 48 Ca -0.49 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1hgg h THR 48 Cb 1.24 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1hgg h THR 48 CO 0.58 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 1hgg n GLY 49 N 0.45 0.76 2.96 5.82 0.00 -1.23 -4.99 105.19 108.97 1hgg n GLY 49 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.33 0.32 -0.38 1.61 1.02 -1.26 -4.19 119.74 116.53 1hgg s LYS 50 Ca 0.00 -0.32 -0.22 0.00 0.02 0.00 0.00 55.97 55.45 1hgg s LYS 50 Cb 0.00 -0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.11 1hgg s LYS 50 CO 0.00 0.05 0.72 0.42 -0.92 0.00 0.00 175.35 175.62 1hgg s ILE 51 N -0.54 4.78 0.24 2.17 1.01 0.76 -0.94 121.20 128.69 1hgg s ILE 51 Ca -0.04 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 1hgg s ILE 51 Cb -0.04 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 1hgg s ILE 51 CO -0.00 -0.44 1.31 0.00 0.00 0.00 0.00 174.94 175.82 1hgg n ASN 53 N 2.05 2.80 -3.61 0.00 0.23 0.73 -4.78 115.26 112.67 1hgg n ASN 53 Ca 0.04 -2.37 -0.15 0.00 -0.53 0.00 0.00 54.58 51.57 1hgg n ASN 53 Cb 0.42 -0.58 -0.07 0.00 -2.08 0.00 0.00 39.78 37.48 1hgg n ASN 53 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1hgg s ASN 54 N 0.05 -0.70 0.00 0.53 3.84 -1.17 -4.59 114.94 112.90 1hgg s ASN 54 Ca 0.16 1.22 0.30 0.00 0.21 0.00 0.00 52.86 54.75 1hgg s ASN 54 Cb 0.13 1.20 1.47 0.00 -0.55 0.00 0.00 41.25 43.50 1hgg s ASN 54 CO 0.04 -0.33 2.00 -0.81 -2.79 0.00 0.00 177.10 175.21 1hgg n PRO 55 N 2.28 0.85 -2.95 0.43 -0.04 -1.26 -0.36 135.00 133.95 1hgg n PRO 55 Ca -0.15 -0.20 -0.24 0.00 -0.04 0.00 0.00 63.50 62.87 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 -2.29 3.31 -0.68 0.54 3.76 -1.26 -5.01 115.29 113.65 1hgg s HIS 56 Ca 0.36 0.36 -0.23 0.00 -0.15 0.00 0.00 55.06 55.39 1hgg s HIS 56 Cb 0.21 -2.29 0.06 0.00 1.11 0.00 0.00 32.58 31.67 1hgg s HIS 56 CO 0.42 -0.32 1.04 0.50 -0.85 0.00 0.00 174.74 175.53 1hgg s ARG 57 N -4.58 3.14 -0.12 1.40 3.52 -1.26 -4.87 118.95 116.17 1hgg s ARG 57 Ca 0.47 -0.73 -0.22 0.00 -0.13 0.00 0.00 55.73 55.13 1hgg s ARG 57 Cb -0.10 -4.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.02 1hgg s ARG 57 CO 0.39 -1.89 0.64 0.42 -0.81 0.00 0.00 175.30 174.06 1hgg s ILE 58 N 4.39 5.05 -0.31 4.11 1.09 -1.26 -0.54 121.20 133.74 1hgg s ILE 58 Ca 0.25 1.28 -0.07 0.00 -1.10 0.00 0.00 60.65 61.02 1hgg s ILE 58 Cb -0.15 -3.97 0.02 0.00 -1.06 0.00 0.00 42.46 37.30 1hgg s ILE 58 CO 0.11 0.21 0.09 -0.22 -0.10 0.00 0.00 174.94 175.02 1hgg s LEU 59 N 1.21 4.01 -0.13 2.97 2.96 -0.25 -4.97 118.68 124.48 1hgg s LEU 59 Ca 0.33 -0.86 -0.28 0.00 -0.22 0.00 0.00 54.13 53.10 1hgg s LEU 59 Cb -0.17 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 1hgg s LEU 59 CO 0.14 -0.24 0.94 -0.62 -1.32 0.00 0.00 176.35 175.25 1hgg s ASP 60 N 1.47 7.13 0.00 3.68 -1.08 -1.26 -1.10 116.67 125.50 1hgg s ASP 60 Ca 0.01 1.39 0.23 0.00 -0.52 0.00 0.00 52.55 53.67 1hgg s ASP 60 Cb -0.18 -2.52 1.06 0.00 -1.46 0.00 0.00 42.92 39.82 1hgg s ASP 60 CO 0.03 -0.44 1.75 0.61 0.52 0.00 0.00 175.17 177.64 1hgg n GLY 61 N 3.23 -1.21 7.00 2.66 0.00 -0.45 -4.92 105.19 111.49 1hgg n GLY 61 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.42 0.00 -1.27 -0.61 2.08 -1.26 -1.34 119.36 115.53 1hgg n ILE 62 Ca 0.08 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 63.21 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 3.78 3.53 -4.41 4.38 5.68 -1.26 -4.27 116.55 123.97 1hgg n ASP 63 Ca 0.00 -3.62 -0.32 0.00 -0.50 0.00 0.00 54.79 50.35 1hgg n ASP 63 Cb 0.00 -0.78 -0.14 0.00 -1.14 0.00 0.00 41.12 39.06 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 -0.69 3.70 0.21 0.00 -4.23 -1.26 -4.66 115.64 108.71 1hgg s THR 65 Ca 0.11 -0.07 -0.09 0.00 -1.18 0.00 0.00 61.69 60.46 1hgg s THR 65 Cb -0.10 -3.46 0.15 0.00 1.34 0.00 0.00 72.50 70.43 1hgg s THR 65 CO -0.00 -0.45 1.80 0.25 -0.54 0.00 0.00 174.62 175.68 1hgg h LEU 66 N -0.09 1.01 -0.77 4.79 5.85 -1.96 -1.68 115.31 122.46 1hgg h LEU 66 Ca -0.45 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 1hgg h LEU 66 Cb 1.26 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1hgg h LEU 66 CO 0.60 0.86 0.41 0.40 -0.34 0.00 0.00 178.44 180.38 1hgg h ILE 67 N 1.10 1.23 -0.56 4.05 1.08 -1.95 0.16 117.51 122.62 1hgg h ILE 67 Ca 0.27 -0.59 -0.06 0.00 -0.39 0.00 0.00 64.86 64.08 1hgg h ILE 67 Cb 0.11 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.06 1hgg h ILE 67 CO -0.03 0.26 0.11 0.44 -0.69 0.00 0.00 178.15 178.24 1hgg h ASP 68 N 1.07 0.83 -0.84 1.72 3.32 -1.89 0.13 116.42 120.75 1hgg h ASP 68 Ca 0.27 -0.16 -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 39.34 1hgg h ASP 68 CO -0.04 0.82 0.43 0.00 -1.72 0.00 0.00 179.24 178.73 1hgg h ALA 69 N 1.28 1.18 0.20 3.45 0.00 -0.51 0.24 119.26 125.10 1hgg h ALA 69 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1hgg h ALA 69 Cb 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1hgg h ALA 69 CO 0.00 0.64 -0.10 1.25 0.00 0.00 0.00 179.25 181.05 1hgg h LEU 70 N 1.19 -0.23 -1.12 0.00 5.85 -0.12 -3.18 115.31 117.70 1hgg h LEU 70 Ca 0.29 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1hgg h LEU 70 Cb 0.07 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1hgg h LEU 70 CO -0.04 0.09 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.91 1hgg h LEU 71 N -0.56 0.40 -0.22 2.25 3.38 -0.66 -3.44 115.31 116.45 1hgg h LEU 71 Ca -0.03 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1hgg h LEU 71 Cb 0.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1hgg h LEU 71 CO 0.04 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1hgg n GLY 72 N -0.60 0.90 3.63 0.83 0.00 0.03 -2.16 105.19 107.82 1hgg n GLY 72 Ca -0.00 -0.12 -0.49 0.00 0.00 0.00 0.00 46.02 45.41 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 0.20 2.25 -0.34 1.61 -0.08 -0.97 -1.18 116.55 118.05 1hgg n ASP 73 Ca 0.00 1.11 0.03 0.00 -1.51 0.00 0.00 54.79 54.42 1hgg n ASP 73 Cb 0.09 -1.31 0.09 0.00 2.34 0.00 0.00 41.12 42.34 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 2.69 -0.14 0.00 -0.67 -0.02 -1.26 -0.05 135.00 135.55 1hgg n PRO 74 Ca 0.17 1.41 0.07 0.00 -2.02 0.00 0.00 63.50 63.13 1hgg n PRO 74 Cb 0.25 -2.10 0.33 0.00 -0.02 0.00 0.00 33.50 31.95 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 -5.42 0.00 -0.61 6.00 1.44 -1.26 -0.93 115.22 114.44 1hgg n HIS 75 Ca 0.12 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.92 1hgg n HIS 75 Cb 0.42 -0.46 0.29 0.00 0.12 0.00 0.00 29.99 30.35 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 3.05 0.00 -0.95 0.00 3.32 -0.99 -1.54 116.42 119.31 1hgg h ASP 77 Ca 0.00 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 1hgg h ASP 77 Cb 1.28 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.75 1hgg h ASP 77 CO 0.18 0.00 0.60 0.58 -1.72 0.00 0.00 179.24 178.88 1hgg h VAL 78 N 0.00 0.79 -0.10 -1.35 2.07 -1.83 -2.97 116.25 112.85 1hgg h VAL 78 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1hgg h VAL 78 Cb 0.12 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 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 -4.62 0.14 -1.94 1.57 3.72 -0.58 -4.91 117.46 110.85 1hgg n PHE 79 Ca 0.20 -0.07 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 1hgg n PHE 79 Cb 0.52 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 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 -1.86 4.22 -2.02 -1.08 -0.21 -1.13 -1.47 119.66 116.10 1hgg s GLN 80 Ca 0.19 2.40 0.00 0.00 0.02 0.00 0.00 55.36 57.97 1hgg s GLN 80 Cb 0.10 -3.07 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 1.92 -5.04 -4.82 5.90 4.13 -1.17 -4.97 115.26 111.20 1hgg n ASN 81 Ca 0.06 0.47 -0.30 0.00 1.68 0.00 0.00 54.58 56.49 1hgg n ASN 81 Cb 0.40 -4.48 0.08 0.00 -1.54 0.00 0.00 39.78 34.23 1hgg n ASN 81 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1hgg s GLU 82 N -3.61 2.20 0.14 3.52 2.56 -0.54 -4.51 118.70 118.45 1hgg s GLU 82 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 54.97 55.51 1hgg s GLU 82 Cb 0.00 -1.94 -0.04 0.00 2.00 0.00 0.00 34.13 34.16 1hgg s GLU 82 CO 0.00 -1.52 0.09 0.95 -0.56 0.00 0.00 175.26 174.22 1hgg s THR 83 N -3.22 0.10 -0.02 -1.70 -4.23 -1.26 -1.54 115.64 103.76 1hgg s THR 83 Ca 0.60 -1.84 -0.29 0.00 -1.18 0.00 0.00 61.69 58.98 1hgg s THR 83 Cb -0.14 -2.02 0.10 0.00 1.34 0.00 0.00 72.50 71.78 1hgg s THR 83 CO 0.53 -0.44 0.85 -1.66 -0.54 0.00 0.00 174.62 173.37 1hgg s TRP 84 N -4.04 -0.41 -0.09 3.99 -2.14 -0.97 -4.80 118.94 110.48 1hgg s TRP 84 Ca 0.23 0.43 0.14 0.00 2.66 0.00 0.00 56.10 59.56 1hgg s TRP 84 Cb 0.07 0.51 -0.24 0.00 -3.10 0.00 0.00 33.47 30.71 1hgg s TRP 84 CO 0.02 -0.54 0.49 -0.25 -2.66 0.00 0.00 176.95 174.00 1hgg n ASP 85 N 0.09 0.67 -3.47 -2.66 8.00 0.30 -4.67 116.55 114.81 1hgg n ASP 85 Ca -0.11 0.29 -0.11 0.00 0.71 0.00 0.00 54.79 55.57 1hgg n ASP 85 Cb 0.61 0.20 -0.10 0.00 -0.02 0.00 0.00 41.12 41.81 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 -0.50 -0.15 0.64 2.96 -0.92 -1.76 118.68 113.00 1hgg s LEU 86 Ca -0.07 0.35 -0.23 0.00 -0.22 0.00 0.00 54.13 53.96 1hgg s LEU 86 Cb 0.07 0.98 -0.03 0.00 0.50 0.00 0.00 46.19 47.72 1hgg s LEU 86 CO 0.82 -0.28 0.70 0.12 -1.32 0.00 0.00 176.35 176.39 1hgg s PHE 87 N 2.50 3.46 -0.25 5.38 2.19 -0.59 -1.09 117.98 129.58 1hgg s PHE 87 Ca 0.07 1.11 -0.13 0.00 0.33 0.00 0.00 56.93 58.31 1hgg s PHE 87 Cb -0.14 -2.85 -0.04 0.00 -1.31 0.00 0.00 43.02 38.68 1hgg s PHE 87 CO -0.14 -0.09 0.28 0.08 1.83 0.00 0.00 175.22 177.18 1hgg s VAL 88 N 1.57 5.26 -0.16 3.12 1.01 -0.26 -0.49 120.40 130.45 1hgg s VAL 88 Ca 0.34 0.40 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 1hgg s VAL 88 Cb -0.17 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1hgg s VAL 88 CO 0.13 0.24 0.20 -1.61 0.00 0.00 0.00 175.10 174.06 1hgg s GLU 89 N 1.61 4.02 0.09 2.72 2.02 0.28 -1.34 118.70 128.11 1hgg s GLU 89 Ca 0.12 -0.07 0.01 0.00 0.02 0.00 0.00 54.97 55.05 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 0.09 0.42 0.21 1.03 0.02 0.00 0.00 175.26 177.02 1hgg s ARG 90 N -0.01 3.34 0.59 1.61 1.81 -1.26 -2.04 118.95 122.98 1hgg s ARG 90 Ca 0.13 -0.54 0.34 0.00 -1.72 0.00 0.00 55.73 53.94 1hgg s ARG 90 Cb -0.12 -2.96 1.87 0.00 -0.45 0.00 0.00 34.95 33.29 1hgg s ARG 90 CO 0.02 0.57 2.23 0.66 -0.68 0.00 0.00 175.30 178.10 1hgg h SER 91 N 2.81 0.00 0.61 0.23 4.64 -1.91 -2.20 113.55 117.72 1hgg h SER 91 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1hgg h SER 91 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1hgg h SER 91 CO 0.72 0.03 -0.09 0.29 -0.87 0.00 0.00 176.83 176.91 1hgg n LYS 92 N -3.53 0.35 -1.76 4.77 4.76 -1.26 -4.94 118.16 116.55 1hgg n LYS 92 Ca -0.02 -0.08 -0.38 0.00 -2.87 0.00 0.00 58.31 54.96 1hgg n LYS 92 Cb 0.13 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.70 2.84 0.03 7.82 0.00 -0.83 -4.87 121.76 124.04 1hgg s ALA 93 Ca 0.23 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.52 1hgg s ALA 93 Cb 0.20 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1hgg s ALA 93 CO 0.51 -1.40 0.03 -0.59 0.00 0.00 0.00 175.76 174.31 1hgg s PHE 94 N -1.29 0.29 0.11 0.00 -0.71 -0.54 -4.94 117.98 110.91 1hgg s PHE 94 Ca 0.71 -0.63 0.02 0.00 -1.04 0.00 0.00 56.93 56.00 1hgg s PHE 94 Cb -0.41 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.15 1hgg s PHE 94 CO 0.49 -0.32 0.19 -1.12 -1.34 0.00 0.00 175.22 173.12 1hgg s SER 95 N -2.10 6.03 -0.37 1.98 0.01 -1.26 -4.68 113.70 113.31 1hgg s SER 95 Ca -0.06 0.11 0.11 0.00 1.31 0.00 0.00 55.95 57.43 1hgg s SER 95 Cb -0.02 -1.75 0.41 0.00 0.21 0.00 0.00 66.02 64.87 1hgg s SER 95 CO -0.05 0.12 1.35 -3.20 0.41 0.00 0.00 173.24 171.87 1hgg n ASN 96 N -0.03 -1.30 0.00 2.44 5.15 -1.26 -5.11 115.26 115.15 1hgg n ASN 96 Ca -0.07 -2.41 0.00 0.00 -0.60 0.00 0.00 54.58 51.50 1hgg n ASN 96 Cb 0.53 0.71 0.00 0.00 -0.53 0.00 0.00 39.78 40.49 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 2.59 -1.67 0.00 4.19 -1.26 -4.61 117.16 116.40 1hgg n TYR 98 Ca 0.00 0.25 -0.44 0.00 3.31 0.00 0.00 57.90 61.01 1hgg n TYR 98 Cb 0.00 -2.58 -0.04 0.00 0.49 0.00 0.00 39.34 37.22 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 2.74 2.60 -4.27 2.98 -0.04 -1.26 -4.94 135.00 132.81 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 0.34 -2.85 -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 3.70 1.35 0.08 0.54 1.13 -1.26 -1.78 117.35 121.11 1hgg s TYR 100 Ca 0.88 -0.85 0.02 0.00 -1.41 0.00 0.00 57.07 55.70 1hgg s TYR 100 Cb -0.54 -0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 39.55 1hgg s TYR 100 CO 0.44 -0.00 -0.07 0.16 -2.51 0.00 0.00 175.55 173.56 1hgg s ASP 101 N -3.21 1.01 -0.19 -0.18 -4.77 -0.53 -4.91 116.67 103.89 1hgg s ASP 101 Ca 0.21 -0.84 0.01 0.00 -3.30 0.00 0.00 52.55 48.63 1hgg s ASP 101 Cb 0.04 0.08 0.04 0.00 -1.09 0.00 0.00 42.92 41.99 1hgg s ASP 101 CO 0.04 -0.37 -0.09 -0.69 0.70 0.00 0.00 175.17 174.75 1hgg s VAL 102 N -2.81 1.53 0.15 2.11 1.01 -1.26 -1.16 120.40 119.97 1hgg s VAL 102 Ca 0.04 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 1hgg s VAL 102 Cb -0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1hgg s VAL 102 CO -0.03 0.16 1.57 -0.65 0.00 0.00 0.00 175.10 176.15 1hgg h PRO 103 N 8.00 -0.37 -2.39 2.72 0.11 -1.97 -2.57 132.00 135.54 1hgg h PRO 103 Ca -0.27 0.02 -0.67 0.00 0.11 0.00 0.00 66.00 65.20 1hgg h PRO 103 Cb 1.10 0.08 -0.37 0.00 0.11 0.00 0.00 31.00 31.92 1hgg h PRO 103 CO 0.46 -0.24 -0.11 -3.47 -0.21 0.00 0.00 178.00 174.43 1hgg n ASP 104 N -5.42 4.92 -0.24 -2.05 -0.08 -1.26 -4.82 116.55 107.60 1hgg n ASP 104 Ca -0.02 -3.52 0.04 0.00 -1.51 0.00 0.00 54.79 49.78 1hgg n ASP 104 Cb 0.35 -0.84 0.14 0.00 2.34 0.00 0.00 41.12 43.11 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 4.23 -0.04 -0.93 -0.67 5.03 -1.86 0.05 116.97 122.78 1hgg h TYR 105 Ca 0.22 0.05 0.11 0.00 2.58 0.00 0.00 58.73 61.69 1hgg h TYR 105 Cb 0.58 0.13 -0.08 0.00 1.55 0.00 0.00 36.73 38.91 1hgg h TYR 105 CO 0.88 -0.21 0.56 0.00 -1.32 0.00 0.00 178.16 178.07 1hgg h ALA 106 N 1.66 1.37 0.13 1.82 0.00 -1.88 0.12 119.26 122.48 1hgg h ALA 106 Ca 0.38 0.03 -0.28 0.00 0.00 0.00 0.00 54.91 55.04 1hgg h ALA 106 Cb 0.66 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1hgg h ALA 106 CO -0.62 0.17 -1.24 0.77 0.00 0.00 0.00 179.25 178.33 1hgg h SER 107 N 0.90 0.51 -0.42 0.00 0.02 -1.44 -2.66 113.55 110.46 1hgg h SER 107 Ca 0.46 -0.53 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1hgg h SER 107 Cb 0.44 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1hgg h SER 107 CO -0.26 1.39 0.15 0.25 -1.14 0.00 0.00 176.83 177.22 1hgg h LEU 108 N 0.11 0.59 -0.64 5.07 5.85 -0.17 0.47 115.31 126.59 1hgg h LEU 108 Ca -0.15 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.44 1hgg h LEU 108 Cb 1.95 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.77 1hgg h LEU 108 CO 0.21 0.62 0.36 -0.09 -0.34 0.00 0.00 178.44 179.20 1hgg h ARG 109 N 0.53 0.66 0.18 1.25 2.43 -0.90 -1.98 114.38 116.56 1hgg h ARG 109 Ca 0.14 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1hgg h ARG 109 Cb 0.23 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1hgg h ARG 109 CO -0.01 0.44 -0.09 1.03 -1.51 0.00 0.00 179.97 179.84 1hgg h SER 110 N 0.68 -0.20 -0.26 -3.80 0.87 -0.92 -0.28 113.55 109.63 1hgg h SER 110 Ca 0.28 -0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.85 1hgg h SER 110 Cb 0.14 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.07 1hgg h SER 110 CO -0.16 -0.08 -0.33 0.25 -0.53 0.00 0.00 176.83 175.99 1hgg h LEU 111 N -0.32 -1.05 -0.22 2.23 6.46 -0.77 -0.35 115.31 121.29 1hgg h LEU 111 Ca -0.02 0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1hgg h LEU 111 Cb 0.25 0.47 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 1hgg h LEU 111 CO 0.04 -0.34 -0.05 0.58 -0.62 0.00 0.00 178.44 178.05 1hgg h VAL 112 N -0.33 1.28 -0.64 1.05 2.07 -1.35 -2.61 116.25 115.73 1hgg h VAL 112 Ca 0.13 -1.05 0.11 0.00 0.82 0.00 0.00 66.70 66.72 1hgg h VAL 112 Cb 0.54 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 1hgg h VAL 112 CO -0.44 0.32 0.20 0.00 0.02 0.00 0.00 177.57 177.67 1hgg h ALA 113 N 0.75 0.81 0.00 1.67 0.00 0.03 -0.67 119.26 121.85 1hgg h ALA 113 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1hgg h ALA 113 Cb 0.51 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1hgg h ALA 113 CO 0.02 -0.24 -0.49 0.66 0.00 0.00 0.00 179.25 179.20 1hgg h SER 114 N 0.35 0.00 -0.63 0.00 4.64 -1.16 -3.12 113.55 113.63 1hgg h SER 114 Ca 0.33 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1hgg h SER 114 Cb 0.47 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1hgg h SER 114 CO -0.37 0.06 0.19 -1.28 -0.87 0.00 0.00 176.83 174.56 1hgg h SER 115 N 0.00 0.93 0.00 4.97 0.87 -0.74 -3.35 113.55 116.23 1hgg h SER 115 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1hgg h SER 115 Cb 0.80 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1hgg h SER 115 CO 0.00 0.90 0.00 0.61 -0.53 0.00 0.00 176.83 177.81 1hgg n GLY 116 N -0.70 0.58 3.08 5.77 0.00 -0.78 -4.11 105.19 109.03 1hgg n GLY 116 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.03 -0.32 2.61 -1.32 -1.26 -2.30 115.64 111.09 1hgg s THR 117 Ca 0.00 -0.29 0.15 0.00 -1.21 0.00 0.00 61.69 60.35 1hgg s THR 117 Cb 0.00 -0.33 0.46 0.00 -1.51 0.00 0.00 72.50 71.12 1hgg s THR 117 CO 0.00 -0.16 1.36 0.18 -2.21 0.00 0.00 174.62 173.80 1hgg n LEU 118 N 2.34 3.57 -4.66 9.08 4.77 -0.59 -4.86 117.00 126.64 1hgg n LEU 118 Ca -0.17 -2.80 -0.49 0.00 -0.03 0.00 0.00 56.01 52.52 1hgg n LEU 118 Cb 0.57 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1hgg n LEU 118 CO 0.21 0.68 1.52 -0.62 -1.33 0.00 0.00 177.39 177.85 1hgg n GLU 119 N -0.36 1.96 -4.83 3.23 1.02 -1.26 -3.04 120.64 117.35 1hgg n GLU 119 Ca 0.19 0.70 -0.33 0.00 -0.02 0.00 0.00 57.16 57.70 1hgg n GLU 119 Cb 0.77 -2.59 -0.13 0.00 -0.02 0.00 0.00 31.44 29.47 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 4.49 2.76 -0.09 -0.32 5.36 -1.26 -1.77 117.98 127.14 1hgg s PHE 120 Ca 0.95 -0.22 0.02 0.00 -0.96 0.00 0.00 56.93 56.72 1hgg s PHE 120 Cb -0.74 -1.68 -0.02 0.00 -0.34 0.00 0.00 43.02 40.24 1hgg s PHE 120 CO 0.53 0.13 -0.14 0.42 -1.46 0.00 0.00 175.22 174.70 1hgg s ILE 121 N -0.53 3.02 -0.05 3.12 -1.09 -0.08 -4.99 121.20 120.60 1hgg s ILE 121 Ca 0.07 -0.71 -0.15 0.00 -2.23 0.00 0.00 60.65 57.64 1hgg s ILE 121 Cb -0.12 -2.22 -0.05 0.00 -1.58 0.00 0.00 42.46 38.49 1hgg s ILE 121 CO 0.02 0.56 0.39 -0.89 -1.23 0.00 0.00 174.94 173.79 1hgg s THR 122 N -0.19 5.11 0.25 2.92 2.01 -1.26 -1.19 115.64 123.28 1hgg s THR 122 Ca 0.00 0.79 0.11 0.00 0.31 0.00 0.00 61.69 62.91 1hgg s THR 122 Cb -0.13 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 1hgg s THR 122 CO 0.03 0.51 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.69 1hgg s GLU 123 N -0.59 1.75 -1.45 4.92 2.02 -0.30 -4.91 118.70 120.14 1hgg s GLU 123 Ca 0.23 -1.62 -0.12 0.00 0.02 0.00 0.00 54.97 53.47 1hgg s GLU 123 Cb -0.16 -1.87 0.05 0.00 0.10 0.00 0.00 34.13 32.25 1hgg s GLU 123 CO 0.11 0.36 2.27 0.41 0.02 0.00 0.00 175.26 178.43 1hgg n GLY 124 N -0.38 4.49 3.76 -1.39 0.00 -1.26 -4.65 105.19 105.76 1hgg n GLY 124 Ca -0.08 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 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 2.41 3.35 -0.31 1.61 0.08 -1.26 -5.00 117.98 118.86 1hgg s PHE 125 Ca 0.49 1.51 -0.02 0.00 0.12 0.00 0.00 56.93 59.03 1hgg s PHE 125 Cb 0.14 -3.47 0.06 0.00 -0.57 0.00 0.00 43.02 39.17 1hgg s PHE 125 CO -0.07 -1.23 0.02 0.99 -0.10 0.00 0.00 175.22 174.83 1hgg s THR 126 N -0.83 3.00 -0.51 0.64 2.01 -1.26 -5.06 115.64 113.63 1hgg s THR 126 Ca 0.49 -1.48 -0.18 0.00 0.31 0.00 0.00 61.69 60.83 1hgg s THR 126 Cb -0.35 -2.77 0.07 0.00 0.01 0.00 0.00 72.50 69.46 1hgg s THR 126 CO 0.44 -0.18 0.57 0.26 -0.69 0.00 0.00 174.62 175.02 1hgg s TRP 127 N 1.23 3.10 -0.22 4.92 0.52 -1.26 -4.97 118.94 122.26 1hgg s TRP 127 Ca -0.03 -0.70 -0.14 0.00 0.02 0.00 0.00 56.10 55.25 1hgg s TRP 127 Cb -0.20 -3.51 -0.04 0.00 -1.15 0.00 0.00 33.47 28.57 1hgg s TRP 127 CO -0.02 -1.00 0.31 0.95 0.02 0.00 0.00 176.95 177.21 1hgg s THR 128 N 2.36 5.26 0.00 2.01 -4.23 -1.26 -4.36 115.64 115.43 1hgg s THR 128 Ca 0.12 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1hgg s THR 128 Cb -0.21 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1hgg s THR 128 CO 0.10 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 1hgg n GLY 129 N 4.11 0.65 3.36 3.99 0.00 -1.26 -4.80 105.19 111.24 1hgg n GLY 129 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 1.46 -0.05 1.61 -7.23 -1.26 -3.42 120.40 109.51 1hgg s VAL 130 Ca 0.00 -2.11 -0.19 0.00 -1.81 0.00 0.00 61.98 57.87 1hgg s VAL 130 Cb 0.00 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1hgg s VAL 130 CO 0.00 -0.42 0.53 -0.89 -0.31 0.00 0.00 175.10 174.00 1hgg s THR 131 N -3.14 5.03 0.48 5.32 2.01 0.90 -4.74 115.64 121.51 1hgg s THR 131 Ca 0.26 1.09 0.08 0.00 0.31 0.00 0.00 61.69 63.43 1hgg s THR 131 Cb 0.03 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.71 1hgg s THR 131 CO 0.09 0.40 0.59 -1.10 -0.69 0.00 0.00 174.62 173.90 1hgg s GLN 132 N 0.02 2.55 -1.61 4.92 -0.21 -1.26 -1.52 119.66 122.54 1hgg s GLN 132 Ca 0.28 -1.50 0.00 0.00 0.02 0.00 0.00 55.36 54.16 1hgg s GLN 132 Cb -0.17 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 31.26 1hgg s GLN 132 CO 0.14 -0.48 0.00 0.09 -2.12 0.00 0.00 175.29 172.92 1hgg n ASN 133 N -1.91 -5.12 -4.69 5.90 3.02 -1.23 -4.96 115.26 106.27 1hgg n ASN 133 Ca 0.09 0.13 -0.37 0.00 -0.03 0.00 0.00 54.58 54.39 1hgg n ASN 133 Cb 0.61 -4.19 0.07 0.00 -0.61 0.00 0.00 39.78 35.65 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 -0.96 0.29 1.06 7.41 0.00 -0.86 -4.90 105.19 107.23 1hgg n GLY 134 Ca -0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 1.04 2.90 3.28 -0.02 0.00 -1.26 -4.38 105.19 106.75 1hgg n GLY 135 Ca 0.15 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.69 -0.13 0.13 1.61 0.15 0.86 -4.76 113.70 109.87 1hgg s SER 136 Ca 0.10 -0.38 0.22 0.00 0.70 0.00 0.00 55.95 56.59 1hgg s SER 136 Cb -0.00 0.42 0.87 0.00 -1.71 0.00 0.00 66.02 65.60 1hgg s SER 136 CO 0.07 -0.79 1.67 0.59 1.20 0.00 0.00 173.24 175.98 1hgg n ASN 137 N -0.07 0.39 0.02 5.45 3.02 -1.26 -1.40 115.26 121.40 1hgg n ASN 137 Ca -0.16 0.58 0.13 0.00 -0.03 0.00 0.00 54.58 55.10 1hgg n ASN 137 Cb 0.63 -0.67 0.52 0.00 -0.61 0.00 0.00 39.78 39.65 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 -1.65 2.54 -3.18 5.41 0.00 -1.26 -3.94 120.51 118.43 1hgg n ALA 138 Ca 0.04 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1hgg n ALA 138 Cb 0.25 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.70 4.15 -0.37 0.00 2.47 -1.25 -0.65 119.74 121.38 1hgg s LYS 140 Ca 0.43 2.53 -0.07 0.00 -1.56 0.00 0.00 55.97 57.30 1hgg s LYS 140 Cb 0.23 -4.11 0.06 0.00 -1.46 0.00 0.00 37.83 32.55 1hgg s LYS 140 CO -0.08 -0.93 0.16 0.50 0.16 0.00 0.00 175.35 175.16 1hgg s ARG 141 N 4.31 2.58 7.59 4.03 3.52 -0.55 -4.80 118.95 135.63 1hgg s ARG 141 Ca 0.85 -1.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1hgg s ARG 141 Cb -0.41 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.40 1hgg s ARG 141 CO 0.39 -0.79 0.00 0.41 -0.81 0.00 0.00 175.30 174.50 1hgg n GLY 142 N 4.84 2.96 0.17 8.12 0.00 -1.26 -1.93 105.19 118.09 1hgg n GLY 142 Ca -0.11 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 0.29 -7.30 1.61 0.13 -2.02 -3.47 132.00 121.24 1hgg h PRO 143 Ca 0.00 -0.20 -0.46 0.00 -0.87 0.00 0.00 66.00 64.47 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 0.81 0.21 0.20 -0.23 0.00 0.00 178.00 178.99 1hgg s GLY 144 N -4.31 1.74 0.51 1.56 0.00 -0.81 -5.05 107.32 100.95 1hgg s GLY 144 Ca -0.04 -1.21 -0.20 0.00 0.00 0.00 0.00 44.72 43.27 1hgg s GLY 144 CO 0.81 -0.71 1.07 -0.56 0.00 0.00 0.00 173.10 173.71 1hgg s SER 145 N -4.63 6.08 0.00 1.64 0.01 -1.26 -1.48 113.70 114.07 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 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.75 1hgg n GLY 146 N -0.13 2.50 2.10 3.44 0.00 0.17 -4.31 105.19 108.97 1hgg n GLY 146 Ca 0.10 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.33 -1.79 1.61 7.35 -1.24 -0.10 117.46 121.96 1hgg n PHE 147 Ca 0.00 -1.30 -0.42 0.00 -0.76 0.00 0.00 57.45 54.97 1hgg n PHE 147 Cb 0.00 0.41 -0.02 0.00 0.35 0.00 0.00 39.48 40.22 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 -4.20 2.87 0.51 -5.13 0.08 -1.26 -4.67 117.98 106.18 1hgg s PHE 148 Ca 0.15 0.59 0.16 0.00 0.12 0.00 0.00 56.93 57.94 1hgg s PHE 148 Cb -0.01 -4.07 1.22 0.00 -0.57 0.00 0.00 43.02 39.59 1hgg s PHE 148 CO 0.11 -3.82 2.12 0.66 -0.10 0.00 0.00 175.22 174.19 1hgg h SER 149 N 5.92 0.01 -0.52 1.36 4.64 -1.14 -2.84 113.55 120.98 1hgg h SER 149 Ca -0.45 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1hgg h SER 149 Cb 1.21 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1hgg h SER 149 CO 0.88 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 177.41 1hgg n ARG 150 N -4.51 2.29 -4.38 4.77 3.00 -0.92 -4.92 116.66 112.00 1hgg n ARG 150 Ca -0.03 -2.00 -0.20 0.00 -0.01 0.00 0.00 57.85 55.61 1hgg n ARG 150 Cb 0.11 -1.45 -0.10 0.00 0.00 0.00 0.00 32.46 31.03 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 -1.10 2.54 -0.27 0.55 1.43 -1.07 -2.95 118.68 117.81 1hgg s LEU 151 Ca 0.38 -1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1hgg s LEU 151 Cb 0.20 -0.71 0.09 0.00 0.03 0.00 0.00 46.19 45.80 1hgg s LEU 151 CO 0.27 -0.20 0.10 0.21 0.23 0.00 0.00 176.35 176.96 1hgg s ASN 152 N -3.37 3.45 -0.35 2.29 2.47 0.75 -4.76 114.94 115.43 1hgg s ASN 152 Ca 0.25 -1.24 -0.29 0.00 0.42 0.00 0.00 52.86 52.00 1hgg s ASN 152 Cb 0.00 -0.53 0.01 0.00 -1.45 0.00 0.00 41.25 39.28 1hgg s ASN 152 CO 0.09 -0.40 1.21 0.86 -3.72 0.00 0.00 177.10 175.14 1hgg s TRP 153 N 1.92 2.84 -0.05 0.43 -0.11 -1.26 -0.97 118.94 121.74 1hgg s TRP 153 Ca 0.07 0.94 -0.03 0.00 1.22 0.00 0.00 56.10 58.29 1hgg s TRP 153 Cb -0.17 -3.96 -0.04 0.00 -1.50 0.00 0.00 33.47 27.80 1hgg s TRP 153 CO -0.26 -1.34 0.11 -0.51 -4.62 0.00 0.00 176.95 170.33 1hgg s LEU 154 N 4.23 4.11 0.35 5.86 1.43 -1.22 -2.03 118.68 131.40 1hgg s LEU 154 Ca 0.52 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.94 1hgg s LEU 154 Cb -0.13 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1hgg s LEU 154 CO 0.23 0.33 0.14 0.42 0.23 0.00 0.00 176.35 177.69 1hgg s THR 155 N -1.13 0.54 0.75 5.49 -4.23 -0.58 -4.72 115.64 111.77 1hgg s THR 155 Ca 0.20 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.59 1hgg s THR 155 Cb -0.12 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.28 1hgg s THR 155 CO 0.10 0.00 1.11 -1.59 -0.54 0.00 0.00 174.62 173.71 1hgg s LYS 156 N -3.78 2.25 -0.24 3.99 -2.85 -0.43 -0.07 119.74 118.61 1hgg s LYS 156 Ca 0.32 1.32 -0.04 0.00 -1.00 0.00 0.00 55.97 56.58 1hgg s LYS 156 Cb 0.05 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 1hgg s LYS 156 CO 0.16 -1.67 -0.04 0.45 0.10 0.00 0.00 175.35 174.36 1hgg s SER 157 N -2.97 4.36 0.83 0.03 0.15 -0.45 -3.75 113.70 111.91 1hgg s SER 157 Ca 0.64 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1hgg s SER 157 Cb -0.20 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1hgg s SER 157 CO 0.51 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.49 1hgg n GLY 158 N 4.77 0.84 0.50 9.45 0.00 -1.26 -2.15 105.19 117.33 1hgg n GLY 158 Ca -0.17 0.43 0.06 0.00 0.00 0.00 0.00 46.02 46.33 1hgg n GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hgg n SER 159 N 8.10 1.40 -3.83 1.61 7.64 -1.26 -5.04 113.62 122.24 1hgg n SER 159 Ca 0.00 -2.81 -0.12 0.00 1.01 0.00 0.00 58.87 56.95 1hgg n SER 159 Cb 0.00 -0.37 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 1hgg n SER 159 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hgg s THR 160 N -1.78 0.04 -0.26 0.44 -4.23 -0.91 -4.99 115.64 103.94 1hgg s THR 160 Ca 0.25 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 1hgg s THR 160 Cb 0.24 -0.36 0.07 0.00 1.34 0.00 0.00 72.50 73.79 1hgg s THR 160 CO -0.03 -0.17 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.37 1hgg s TYR 161 N -0.58 2.78 1.10 3.99 6.14 -1.26 -1.34 117.35 128.17 1hgg s TYR 161 Ca -0.07 -2.07 -0.17 0.00 0.64 0.00 0.00 57.07 55.40 1hgg s TYR 161 Cb -0.04 -1.85 0.24 0.00 0.42 0.00 0.00 41.96 40.73 1hgg s TYR 161 CO 0.01 -0.83 1.16 -1.25 0.64 0.00 0.00 175.55 175.28 1hgg s PRO 162 N 1.26 -0.41 -0.49 4.97 0.04 -1.26 -4.91 135.00 134.20 1hgg s PRO 162 Ca -0.04 -0.05 -0.24 0.00 0.04 0.00 0.00 61.00 60.71 1hgg s PRO 162 Cb -0.19 -1.69 0.03 0.00 0.04 0.00 0.00 34.50 32.69 1hgg s PRO 162 CO -0.07 -3.17 0.90 0.08 0.04 0.00 0.00 177.00 174.77 1hgg s VAL 163 N -3.22 4.49 0.24 -0.36 1.01 -1.26 -4.63 120.40 116.67 1hgg s VAL 163 Ca 0.70 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 1hgg s VAL 163 Cb -0.10 -4.44 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 1hgg s VAL 163 CO 0.55 -0.90 1.23 -0.76 0.00 0.00 0.00 175.10 175.23 1hgg s LEU 164 N 3.71 4.46 -0.39 3.92 1.43 0.19 -4.88 118.68 127.11 1hgg s LEU 164 Ca 0.33 2.40 0.03 0.00 -1.03 0.00 0.00 54.13 55.86 1hgg s LEU 164 Cb -0.11 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.64 1hgg s LEU 164 CO 0.23 -0.40 0.39 0.21 0.23 0.00 0.00 176.35 177.01 1hgg s ASN 165 N -0.18 1.08 0.32 2.29 2.47 -1.25 -1.12 114.94 118.55 1hgg s ASN 165 Ca 0.51 -1.82 0.09 0.00 0.42 0.00 0.00 52.86 52.06 1hgg s ASN 165 Cb -0.35 0.50 -0.04 0.00 -1.45 0.00 0.00 41.25 39.90 1hgg s ASN 165 CO 0.42 -0.23 0.09 0.68 -3.72 0.00 0.00 177.10 174.33 1hgg s VAL 166 N 1.19 3.09 0.02 -5.21 -7.23 -0.06 -4.96 120.40 107.23 1hgg s VAL 166 Ca 0.20 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1hgg s VAL 166 Cb -0.12 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 1hgg s VAL 166 CO -0.04 -0.24 -0.03 0.28 -0.31 0.00 0.00 175.10 174.76 1hgg s THR 167 N -2.41 0.15 -0.22 5.32 -1.32 -1.26 -1.41 115.64 114.50 1hgg s THR 167 Ca 0.36 -0.76 -0.04 0.00 -1.21 0.00 0.00 61.69 60.04 1hgg s THR 167 Cb -0.03 -0.26 0.09 0.00 -1.51 0.00 0.00 72.50 70.78 1hgg s THR 167 CO 0.21 -0.39 0.18 -0.32 -2.21 0.00 0.00 174.62 172.10 1hgg s MET 168 N -1.20 0.17 0.19 7.08 1.75 -0.21 -4.97 119.30 122.12 1hgg s MET 168 Ca -0.12 -0.03 -0.30 0.00 -1.25 0.00 0.00 55.69 53.99 1hgg s MET 168 Cb -0.08 -1.33 -0.08 0.00 2.84 0.00 0.00 34.83 36.18 1hgg s MET 168 CO -0.01 -0.75 1.15 -2.14 -0.65 0.00 0.00 175.02 172.62 1hgg s PRO 169 N 2.24 4.54 -0.60 4.11 0.02 -1.26 -0.86 135.00 143.19 1hgg s PRO 169 Ca 0.06 1.81 -0.22 0.00 0.02 0.00 0.00 61.00 62.68 1hgg s PRO 169 Cb -0.16 -3.25 0.07 0.00 0.02 0.00 0.00 34.50 31.19 1hgg s PRO 169 CO -0.17 0.00 0.85 1.21 -0.33 0.00 0.00 177.00 178.56 1hgg s ASN 170 N -0.07 6.21 -0.01 2.53 3.84 -0.12 -4.79 114.94 122.53 1hgg s ASN 170 Ca 0.51 -0.94 0.21 0.00 0.21 0.00 0.00 52.86 52.84 1hgg s ASN 170 Cb -0.31 -2.38 -0.25 0.00 -0.55 0.00 0.00 41.25 37.76 1hgg s ASN 170 CO 0.37 -1.25 0.76 0.59 -2.79 0.00 0.00 177.10 174.78 1hgg n ASN 171 N 7.14 0.75 -4.03 -4.21 5.03 -1.26 -0.78 115.26 117.91 1hgg n ASN 171 Ca -0.04 -0.72 -0.30 0.00 0.87 0.00 0.00 54.58 54.39 1hgg n ASN 171 Cb 0.45 1.26 0.20 0.00 -1.02 0.00 0.00 39.78 40.67 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 -3.34 2.82 -0.38 6.41 1.11 -1.26 -4.83 116.67 117.20 1hgg s ASP 172 Ca 0.04 0.23 0.07 0.00 0.18 0.00 0.00 52.55 53.07 1hgg s ASP 172 Cb 0.15 -0.24 0.68 0.00 1.07 0.00 0.00 42.92 44.58 1hgg s ASP 172 CO 0.85 -2.91 1.82 -0.46 1.18 0.00 0.00 175.17 175.65 1hgg n ASN 173 N -3.88 4.06 -4.17 0.27 6.94 -1.26 -4.40 115.26 112.82 1hgg n ASN 173 Ca 0.16 -3.46 -0.11 0.00 -0.02 0.00 0.00 54.58 51.15 1hgg n ASN 173 Cb 0.59 -0.77 -0.10 0.00 -2.36 0.00 0.00 39.78 37.14 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 -3.17 0.98 0.40 -2.53 -0.12 -1.26 -4.92 117.98 107.36 1hgg s PHE 174 Ca 0.55 -1.27 -0.24 0.00 -0.05 0.00 0.00 56.93 55.92 1hgg s PHE 174 Cb 0.45 -0.52 -0.09 0.00 -0.63 0.00 0.00 43.02 42.23 1hgg s PHE 174 CO 0.11 -0.54 1.05 -0.51 -0.05 0.00 0.00 175.22 175.28 1hgg s ASP 175 N -3.09 6.73 -0.16 1.98 1.01 -1.26 -3.93 116.67 117.95 1hgg s ASP 175 Ca 0.29 2.04 0.01 0.00 0.71 0.00 0.00 52.55 55.60 1hgg s ASP 175 Cb 0.07 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.42 1hgg s ASP 175 CO 0.05 -0.51 -0.18 -0.54 0.21 0.00 0.00 175.17 174.20 1hgg s LYS 176 N -2.53 3.12 -0.23 8.23 1.02 -0.10 -3.60 119.74 125.64 1hgg s LYS 176 Ca 0.58 -0.79 -0.15 0.00 0.02 0.00 0.00 55.97 55.62 1hgg s LYS 176 Cb -0.22 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 1hgg s LYS 176 CO 0.27 -0.03 0.38 -1.17 -0.92 0.00 0.00 175.35 173.88 1hgg s LEU 177 N 0.90 4.11 -0.17 3.17 2.96 -0.57 -0.38 118.68 128.69 1hgg s LEU 177 Ca -0.04 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.24 1hgg s LEU 177 Cb -0.15 -2.47 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 1hgg s LEU 177 CO -0.03 -0.12 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.54 1hgg s TYR 178 N 1.62 2.99 -0.28 5.38 2.02 0.33 -1.20 117.35 128.20 1hgg s TYR 178 Ca 0.17 -0.49 -0.09 0.00 -0.37 0.00 0.00 57.07 56.30 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 0.08 -0.19 0.12 0.42 -1.57 0.00 0.00 175.55 174.41 1hgg s ILE 179 N 0.71 4.50 0.23 2.71 -1.09 -1.26 -1.01 121.20 125.98 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 -0.15 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 1hgg s ILE 179 CO 0.02 0.19 0.08 -2.67 -1.23 0.00 0.00 174.94 171.32 1hgg n TRP 180 N 4.96 0.11 -3.61 3.97 4.27 -0.84 -4.36 117.44 121.92 1hgg n TRP 180 Ca -0.15 -1.44 -0.02 0.00 -3.89 0.00 0.00 57.50 52.00 1hgg n TRP 180 Cb 0.50 -0.01 0.01 0.00 -1.36 0.00 0.00 31.31 30.45 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 0.67 1.06 2.97 -1.67 0.00 -0.83 -1.13 105.19 106.27 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 -2.36 0.15 -0.20 -0.61 2.07 -0.87 -1.67 121.20 117.72 1hgg s ILE 182 Ca 0.11 -0.75 -0.07 0.00 -1.41 0.00 0.00 60.65 58.53 1hgg s ILE 182 Cb -0.02 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 1hgg s ILE 182 CO 0.04 -0.38 0.05 -2.28 -1.91 0.00 0.00 174.94 170.46 1hgg s HIS 183 N -1.15 3.17 -0.40 3.50 5.65 0.49 -1.47 115.29 125.08 1hgg s HIS 183 Ca -0.12 -0.10 -0.15 0.00 0.25 0.00 0.00 55.06 54.95 1hgg s HIS 183 Cb -0.08 -2.11 0.02 0.00 -1.18 0.00 0.00 32.58 29.23 1hgg s HIS 183 CO -0.01 -0.01 0.29 -1.01 -0.65 0.00 0.00 174.74 173.36 1hgg s HIS 184 N 0.71 3.24 0.67 3.88 0.09 -0.07 -4.76 115.29 119.04 1hgg s HIS 184 Ca 0.03 -0.56 -0.14 0.00 -0.00 0.00 0.00 55.06 54.39 1hgg s HIS 184 Cb -0.13 -2.57 0.00 0.00 -0.00 0.00 0.00 32.58 29.88 1hgg s HIS 184 CO 0.02 -0.56 1.08 -2.14 -0.00 0.00 0.00 174.74 173.14 1hgg s PRO 185 N 1.68 2.86 0.09 8.40 0.02 -1.26 -2.59 135.00 144.20 1hgg s PRO 185 Ca 0.05 1.23 -0.01 0.00 0.02 0.00 0.00 61.00 62.29 1hgg s PRO 185 Cb -0.19 -1.97 -0.26 0.00 0.02 0.00 0.00 34.50 32.10 1hgg s PRO 185 CO 0.10 -1.18 1.18 0.77 -0.33 0.00 0.00 177.00 177.54 1hgg h SER 186 N -0.18 0.29 -4.28 2.53 0.02 -1.85 -2.58 113.55 107.50 1hgg h SER 186 Ca -0.46 -0.31 -0.31 0.00 -0.84 0.00 0.00 61.79 59.87 1hgg h SER 186 Cb 1.23 -0.09 -0.16 0.00 0.14 0.00 0.00 62.40 63.51 1hgg h SER 186 CO 0.55 1.24 -0.72 0.42 -1.14 0.00 0.00 176.83 177.18 1hgg s THR 187 N -2.67 0.98 0.32 -2.27 -4.23 -1.26 -2.53 115.64 103.98 1hgg s THR 187 Ca -0.02 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 1hgg s THR 187 Cb 0.08 -1.55 0.20 0.00 1.34 0.00 0.00 72.50 72.57 1hgg s THR 187 CO 0.86 -0.65 1.91 0.78 -0.54 0.00 0.00 174.62 176.98 1hgg h ASN 188 N 3.25 0.68 -0.46 3.99 2.35 -1.96 -1.30 115.58 122.13 1hgg h ASN 188 Ca -0.37 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.31 1hgg h ASN 188 Cb 1.19 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 1hgg h ASN 188 CO 0.58 0.61 0.30 -0.61 -1.65 0.00 0.00 177.43 176.66 1hgg h GLN 189 N 0.74 0.59 -0.72 0.81 4.15 -1.99 -1.45 115.11 117.24 1hgg h GLN 189 Ca 0.18 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.61 1hgg h GLN 189 Cb 0.14 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 1hgg h GLN 189 CO -0.02 0.39 0.43 1.49 -1.93 0.00 0.00 178.83 179.20 1hgg h GLU 190 N 0.61 0.79 -0.57 1.69 4.81 -1.73 0.46 114.58 120.63 1hgg h GLU 190 Ca 0.17 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1hgg h GLU 190 Cb -0.05 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.11 1hgg h GLU 190 CO -0.05 0.52 0.32 0.37 -0.73 0.00 0.00 179.01 179.44 1hgg h GLN 191 N 0.82 0.59 0.11 1.92 5.75 -0.49 -1.34 115.11 122.46 1hgg h GLN 191 Ca 0.31 -0.04 -0.27 0.00 -0.15 0.00 0.00 58.65 58.50 1hgg h GLN 191 Cb 0.11 -0.13 0.01 0.00 1.07 0.00 0.00 27.48 28.54 1hgg h GLN 191 CO -0.15 0.39 -1.18 1.79 -2.65 0.00 0.00 178.83 177.03 1hgg h THR 192 N 0.61 1.46 -0.81 2.39 1.35 -0.72 0.87 112.91 118.06 1hgg h THR 192 Ca 0.25 -2.87 0.08 0.00 -0.55 0.00 0.00 66.41 63.32 1hgg h THR 192 Cb 0.12 2.82 -0.07 0.00 -1.73 0.00 0.00 68.15 69.29 1hgg h THR 192 CO -0.15 0.84 0.48 0.28 -0.25 0.00 0.00 175.52 176.72 1hgg h SER 193 N 0.12 0.71 0.06 5.36 0.02 -0.41 -0.94 113.55 118.47 1hgg h SER 193 Ca -0.13 0.03 -0.30 0.00 -0.84 0.00 0.00 61.79 60.55 1hgg h SER 193 Cb 1.89 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 64.29 1hgg h SER 193 CO 0.20 0.43 -1.67 0.18 -1.14 0.00 0.00 176.83 174.83 1hgg n LEU 194 N -4.71 2.24 -0.26 5.07 4.77 -0.55 -4.65 117.00 118.92 1hgg n LEU 194 Ca 0.12 0.31 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 1hgg n LEU 194 Cb 0.23 -1.03 0.05 0.00 -2.33 0.00 0.00 43.42 40.33 1hgg n LEU 194 CO 0.29 0.57 0.46 -1.22 -1.33 0.00 0.00 177.39 176.15 1hgg n TYR 195 N -3.97 0.12 0.00 -1.77 4.01 0.29 -1.32 117.16 114.53 1hgg n TYR 195 Ca -0.33 -0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.13 1hgg n TYR 195 Cb 0.86 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.87 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 0.11 0.00 -1.67 -0.72 0.31 -0.36 -4.56 118.33 111.44 1hgg n VAL 196 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.95 1hgg n VAL 196 Cb 0.24 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.17 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 1.90 -0.01 5.55 3.00 -1.26 -4.59 117.38 121.97 1hgg n GLN 197 Ca 0.00 0.67 0.09 0.00 -0.01 0.00 0.00 57.00 57.75 1hgg n GLN 197 Cb 0.00 -2.23 0.50 0.00 0.00 0.00 0.00 30.24 28.52 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 0.18 2.59 -3.42 -1.58 0.00 -1.26 -4.52 120.51 112.50 1hgg n ALA 198 Ca 0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 1hgg n ALA 198 Cb 0.36 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.55 -0.21 1.00 0.00 0.15 -1.26 -4.98 113.70 106.84 1hgg s SER 199 Ca 0.27 0.61 -0.11 0.00 0.70 0.00 0.00 55.95 57.43 1hgg s SER 199 Cb 0.13 1.40 0.15 0.00 -1.71 0.00 0.00 66.02 65.98 1hgg s SER 199 CO 0.21 -0.27 0.86 0.61 1.20 0.00 0.00 173.24 175.85 1hgg n GLY 200 N 5.39 -1.38 3.65 9.45 0.00 -1.26 -4.85 105.19 116.18 1hgg n GLY 200 Ca -0.05 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.26 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 -4.87 0.21 -0.10 1.61 3.52 -1.11 -4.42 118.95 113.78 1hgg s ARG 201 Ca 0.49 0.33 0.02 0.00 -0.13 0.00 0.00 55.73 56.43 1hgg s ARG 201 Cb -0.01 0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.45 1hgg s ARG 201 CO 0.34 -0.04 -0.15 0.08 -0.81 0.00 0.00 175.30 174.73 1hgg s VAL 202 N 0.87 1.45 -0.16 7.11 1.01 -0.32 -2.35 120.40 128.00 1hgg s VAL 202 Ca -0.04 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1hgg s VAL 202 Cb -0.03 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 35.04 1hgg s VAL 202 CO -0.12 0.43 -0.14 -0.89 0.00 0.00 0.00 175.10 174.38 1hgg s THR 203 N 0.98 1.67 -0.08 3.92 2.01 0.03 -0.63 115.64 123.55 1hgg s THR 203 Ca -0.07 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.21 1hgg s THR 203 Cb -0.15 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1hgg s THR 203 CO -0.01 0.42 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.45 1hgg s VAL 204 N 1.43 2.48 0.16 3.82 1.01 0.02 -1.09 120.40 128.24 1hgg s VAL 204 Ca 0.04 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1hgg s VAL 204 Cb -0.13 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1hgg s VAL 204 CO -0.11 0.56 0.43 -0.94 0.00 0.00 0.00 175.10 175.05 1hgg s SER 205 N -0.12 -0.18 0.00 3.32 1.04 -0.82 -0.62 113.70 116.31 1hgg s SER 205 Ca -0.03 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1hgg s SER 205 Cb -0.14 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1hgg s SER 205 CO 0.04 -0.95 0.00 0.35 0.98 0.00 0.00 173.24 173.66 1hgg n THR 206 N -0.27 0.00 0.12 2.02 -2.24 -0.61 -1.15 114.28 112.15 1hgg n THR 206 Ca -0.12 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1hgg n THR 206 Cb 0.63 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.07 0.00 -0.78 3.08 -1.97 -3.30 114.38 111.49 1hgg h ARG 207 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 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 0.66 -0.52 0.00 -1.07 0.00 0.00 179.97 179.04 1hgg h ARG 208 N 0.05 0.00 -2.95 0.04 3.08 -1.96 -3.49 114.38 109.16 1hgg h ARG 208 Ca -0.01 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1hgg h ARG 208 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1hgg h ARG 208 CO 0.08 0.00 0.29 -1.54 -1.07 0.00 0.00 179.97 177.74 1hgg s SER 209 N -4.43 -0.06 -0.06 7.04 1.04 -1.24 -5.18 113.70 110.81 1hgg s SER 209 Ca 0.07 -0.98 -0.30 0.00 0.48 0.00 0.00 55.95 55.22 1hgg s SER 209 Cb 0.13 0.79 0.07 0.00 0.10 0.00 0.00 66.02 67.10 1hgg s SER 209 CO 0.70 -1.54 0.68 0.00 0.98 0.00 0.00 173.24 174.06 1hgg s GLN 210 N -2.67 1.04 -0.04 4.02 -2.07 -1.26 -1.58 119.66 117.11 1hgg s GLN 210 Ca 0.15 0.30 0.02 0.00 -1.82 0.00 0.00 55.36 54.00 1hgg s GLN 210 Cb -0.05 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.38 1hgg s GLN 210 CO 0.10 -0.31 -0.06 -0.65 -1.32 0.00 0.00 175.29 173.04 1hgg s GLN 211 N -1.10 0.88 -0.12 9.60 -0.21 0.20 -4.98 119.66 123.94 1hgg s GLN 211 Ca -0.10 -0.18 0.02 0.00 0.02 0.00 0.00 55.36 55.12 1hgg s GLN 211 Cb -0.00 -0.85 0.01 0.00 1.00 0.00 0.00 33.01 33.17 1hgg s GLN 211 CO 0.09 -0.01 -0.19 0.99 -2.12 0.00 0.00 175.29 174.05 1hgg s THR 212 N 0.64 1.79 -0.02 -0.19 2.01 -1.26 -0.80 115.64 117.81 1hgg s THR 212 Ca -0.09 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.15 1hgg s THR 212 Cb -0.12 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1hgg s THR 212 CO 0.01 0.50 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.60 1hgg s ILE 213 N 0.87 2.55 -0.04 1.82 1.09 0.20 -4.97 121.20 122.72 1hgg s ILE 213 Ca -0.07 -1.00 0.05 0.00 -1.10 0.00 0.00 60.65 58.52 1hgg s ILE 213 Cb -0.15 -1.97 -0.02 0.00 -1.06 0.00 0.00 42.46 39.25 1hgg s ILE 213 CO -0.01 0.53 -0.18 0.27 -0.10 0.00 0.00 174.94 175.44 1hgg s ILE 214 N -0.72 2.72 1.24 2.92 -4.36 -1.26 -1.18 121.20 120.56 1hgg s ILE 214 Ca 0.11 -0.85 -0.17 0.00 -0.26 0.00 0.00 60.65 59.48 1hgg s ILE 214 Cb -0.10 -2.03 0.30 0.00 1.25 0.00 0.00 42.46 41.88 1hgg s ILE 214 CO 0.01 0.58 1.01 -2.16 0.24 0.00 0.00 174.94 174.63 1hgg s PRO 215 N -0.63 -1.52 -0.18 0.37 0.04 -1.26 -5.02 135.00 126.80 1hgg s PRO 215 Ca 0.10 0.42 -0.05 0.00 0.04 0.00 0.00 61.00 61.51 1hgg s PRO 215 Cb -0.11 -1.52 0.07 0.00 0.04 0.00 0.00 34.50 32.98 1hgg s PRO 215 CO 0.00 -4.01 0.12 -0.80 0.04 0.00 0.00 177.00 172.35 1hgg s ASN 216 N -3.03 2.14 0.14 6.66 0.02 -1.26 -4.98 114.94 114.63 1hgg s ASN 216 Ca 0.68 -0.53 -0.26 0.00 -1.02 0.00 0.00 52.86 51.73 1hgg s ASN 216 Cb -0.18 -0.11 -0.07 0.00 0.02 0.00 0.00 41.25 40.90 1hgg s ASN 216 CO 0.60 -0.34 0.82 -0.63 0.02 0.00 0.00 177.10 177.57 1hgg s ILE 217 N 2.18 4.43 0.00 0.60 1.01 -1.26 -4.36 121.20 123.81 1hgg s ILE 217 Ca 0.03 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.46 1hgg s ILE 217 Cb -0.16 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.13 1hgg s ILE 217 CO -0.10 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1hgg n GLY 218 N 1.85 3.21 3.74 6.18 0.00 -0.97 -4.97 105.19 114.23 1hgg n GLY 218 Ca -0.03 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 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 7.25 0.55 1.61 0.01 -1.24 -4.35 113.70 117.53 1hgg s SER 219 Ca 0.00 1.49 0.05 0.00 1.31 0.00 0.00 55.95 58.80 1hgg s SER 219 Cb 0.00 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.79 1hgg s SER 219 CO 0.00 0.01 0.38 0.54 0.41 0.00 0.00 173.24 174.59 1hgg n ARG 220 N 2.77 0.68 -2.06 12.44 3.00 -0.90 -5.08 116.66 127.50 1hgg n ARG 220 Ca -0.02 -3.49 -0.41 0.00 -0.01 0.00 0.00 57.85 53.92 1hgg n ARG 220 Cb 0.50 0.42 -0.02 0.00 0.00 0.00 0.00 32.46 33.36 1hgg n ARG 220 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1hgg s PRO 221 N -4.25 4.31 -0.17 5.56 0.02 -1.26 -4.62 135.00 134.59 1hgg s PRO 221 Ca 0.29 2.28 -0.34 0.00 0.02 0.00 0.00 61.00 63.25 1hgg s PRO 221 Cb -0.02 -3.06 -0.11 0.00 0.02 0.00 0.00 34.50 31.33 1hgg s PRO 221 CO 0.18 -0.26 1.97 1.87 -0.33 0.00 0.00 177.00 180.43 1hgg n TRP 222 N 0.89 2.14 -3.83 6.54 -0.00 -1.25 -4.54 117.44 117.39 1hgg n TRP 222 Ca 0.01 0.08 -0.26 0.00 -0.00 0.00 0.00 57.50 57.32 1hgg n TRP 222 Cb 0.41 -2.63 -0.17 0.00 -0.00 0.00 0.00 31.31 28.92 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 5.09 0.76 -1.37 5.87 1.01 -0.03 -4.83 120.40 126.90 1hgg s VAL 223 Ca 0.97 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 1hgg s VAL 223 Cb -0.72 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1hgg s VAL 223 CO 0.51 0.15 0.46 0.54 0.00 0.00 0.00 175.10 176.75 1hgg n ARG 224 N 5.00 -2.72 -0.64 2.72 1.74 -1.26 -1.43 116.66 120.07 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 -4.32 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 -1.98 1.69 3.34 -0.13 0.00 -1.26 -4.52 105.19 102.32 1hgg n GLY 225 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 2.20 0.00 0.99 1.43 -0.52 -4.98 118.68 117.80 1hgg s LEU 226 Ca 0.00 -0.61 0.18 0.00 -1.03 0.00 0.00 54.13 52.66 1hgg s LEU 226 Cb 0.00 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 1hgg s LEU 226 CO 0.00 0.22 0.92 -1.20 0.23 0.00 0.00 176.35 176.52 1hgg n SER 227 N 1.60 1.73 -4.70 2.29 7.64 -1.26 -0.85 113.62 120.08 1hgg n SER 227 Ca -0.17 -1.37 -0.25 0.00 1.01 0.00 0.00 58.87 58.09 1hgg n SER 227 Cb 0.52 0.47 0.10 0.00 -1.01 0.00 0.00 64.21 64.30 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 -2.05 4.39 0.07 6.43 0.01 -1.26 -2.12 113.70 119.16 1hgg s SER 228 Ca 0.15 0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.37 1hgg s SER 228 Cb 0.14 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.84 1hgg s SER 228 CO 0.45 -1.85 0.24 -0.13 0.41 0.00 0.00 173.24 172.36 1hgg s ARG 229 N -5.27 0.82 0.04 12.44 1.81 -1.07 -4.76 118.95 122.96 1hgg s ARG 229 Ca 0.65 -0.74 0.09 0.00 -1.72 0.00 0.00 55.73 54.00 1hgg s ARG 229 Cb -0.07 0.34 -0.03 0.00 -0.45 0.00 0.00 34.95 34.74 1hgg s ARG 229 CO 0.45 -0.26 -0.25 0.96 -0.68 0.00 0.00 175.30 175.53 1hgg s ILE 230 N -3.20 1.98 -0.08 1.52 -4.36 -0.73 -0.89 121.20 115.44 1hgg s ILE 230 Ca -0.00 -1.31 -0.00 0.00 -0.26 0.00 0.00 60.65 59.08 1hgg s ILE 230 Cb 0.02 -1.70 -0.03 0.00 1.25 0.00 0.00 42.46 42.00 1hgg s ILE 230 CO -0.07 0.33 -0.05 -0.44 0.24 0.00 0.00 174.94 174.94 1hgg s SER 231 N -1.18 4.75 -0.02 4.36 0.01 -0.54 -1.45 113.70 119.64 1hgg s SER 231 Ca 0.10 -0.00 -0.14 0.00 1.31 0.00 0.00 55.95 57.22 1hgg s SER 231 Cb -0.10 -1.28 -0.05 0.00 0.21 0.00 0.00 66.02 64.80 1hgg s SER 231 CO 0.02 0.35 0.37 -0.63 0.41 0.00 0.00 173.24 173.76 1hgg s ILE 232 N -0.72 5.10 0.24 1.44 -1.09 -0.31 -2.04 121.20 123.82 1hgg s ILE 232 Ca 0.11 0.75 0.01 0.00 -2.23 0.00 0.00 60.65 59.29 1hgg s ILE 232 Cb -0.11 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 1hgg s ILE 232 CO 0.02 0.59 0.09 -0.31 -1.23 0.00 0.00 174.94 174.09 1hgg s TYR 233 N -1.07 1.45 0.02 3.97 2.02 -0.28 -4.10 117.35 119.34 1hgg s TYR 233 Ca 0.22 -1.20 -0.06 0.00 -0.37 0.00 0.00 57.07 55.67 1hgg s TYR 233 Cb -0.16 -0.83 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1hgg s TYR 233 CO 0.12 -0.37 0.10 1.67 -1.57 0.00 0.00 175.55 175.50 1hgg s TRP 234 N -3.81 0.12 -0.02 2.71 1.48 -1.26 -2.00 118.94 116.17 1hgg s TRP 234 Ca 0.37 -0.30 -0.00 0.00 -1.06 0.00 0.00 56.10 55.10 1hgg s TRP 234 Cb 0.08 -0.10 0.03 0.00 -1.16 0.00 0.00 33.47 32.32 1hgg s TRP 234 CO 0.12 -0.30 0.03 0.99 -4.06 0.00 0.00 176.95 173.74 1hgg s THR 235 N -1.76 -0.06 -0.15 0.66 2.01 -0.18 -4.98 115.64 111.18 1hgg s THR 235 Ca -0.12 0.22 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 1hgg s THR 235 Cb -0.06 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 1hgg s THR 235 CO -0.01 0.09 0.12 -0.63 -0.69 0.00 0.00 174.62 173.51 1hgg s ILE 236 N 1.09 5.35 -0.18 1.82 1.01 -1.26 -0.52 121.20 128.51 1hgg s ILE 236 Ca -0.09 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 1hgg s ILE 236 Cb -0.13 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 38.97 1hgg s ILE 236 CO -0.03 0.55 -0.11 -0.69 0.00 0.00 0.00 174.94 174.66 1hgg s VAL 237 N -0.46 2.92 0.55 2.92 1.01 0.48 -4.95 120.40 122.87 1hgg s VAL 237 Ca 0.12 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1hgg s VAL 237 Cb -0.12 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1hgg s VAL 237 CO 0.02 0.49 0.88 -0.54 0.00 0.00 0.00 175.10 175.95 1hgg s LYS 238 N 1.06 3.37 0.30 2.72 1.02 -1.26 -0.93 119.74 126.02 1hgg s LYS 238 Ca -0.00 0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 1hgg s LYS 238 Cb -0.15 -2.27 -0.12 0.00 -0.52 0.00 0.00 37.83 34.78 1hgg s LYS 238 CO -0.02 -0.45 1.46 -2.30 -0.92 0.00 0.00 175.35 173.12 1hgg n PRO 239 N -2.49 2.38 -0.03 -1.68 -0.02 -1.25 -1.13 135.00 130.78 1hgg n PRO 239 Ca 0.03 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1hgg n PRO 239 Cb 0.56 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 1.67 2.17 0.36 -1.23 0.00 0.04 -5.02 105.19 103.19 1hgg n GLY 240 Ca 0.08 0.00 -0.02 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 0.12 -3.74 1.61 -0.08 -0.28 -4.84 116.55 109.33 1hgg n ASP 241 Ca 0.00 -1.10 -0.12 0.00 -1.51 0.00 0.00 54.79 52.06 1hgg n ASP 241 Cb 0.00 -0.06 -0.11 0.00 2.34 0.00 0.00 41.12 43.29 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 -0.16 -0.01 -0.04 5.18 0.11 -1.26 -0.95 120.40 123.27 1hgg s VAL 242 Ca 0.06 0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 58.99 1hgg s VAL 242 Cb -0.00 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1hgg s VAL 242 CO 0.04 0.02 0.44 -0.22 -3.33 0.00 0.00 175.10 172.05 1hgg s LEU 243 N 0.60 4.41 -0.14 2.54 2.96 -0.04 -4.15 118.68 124.86 1hgg s LEU 243 Ca -0.03 0.92 -0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1hgg s LEU 243 Cb -0.05 -2.63 0.03 0.00 0.50 0.00 0.00 46.19 44.04 1hgg s LEU 243 CO -0.04 0.21 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.41 1hgg s VAL 244 N -0.46 1.30 -0.21 1.68 1.01 -0.30 -1.04 120.40 122.38 1hgg s VAL 244 Ca 0.24 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1hgg s VAL 244 Cb -0.16 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1hgg s VAL 244 CO 0.12 0.35 0.06 -0.63 0.00 0.00 0.00 175.10 174.99 1hgg s ILE 245 N 1.59 4.46 -0.08 2.22 1.01 -0.50 -1.95 121.20 127.95 1hgg s ILE 245 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.55 1hgg s ILE 245 Cb -0.13 -3.04 0.02 0.00 0.01 0.00 0.00 42.46 39.32 1hgg s ILE 245 CO -0.09 0.40 -0.04 0.21 0.00 0.00 0.00 174.94 175.42 1hgg s ASN 246 N 0.96 1.66 0.10 3.58 3.84 -0.25 -0.89 114.94 123.95 1hgg s ASN 246 Ca 0.03 -0.17 -0.14 0.00 0.21 0.00 0.00 52.86 52.79 1hgg s ASN 246 Cb -0.14 -0.59 0.02 0.00 -0.55 0.00 0.00 41.25 39.99 1hgg s ASN 246 CO 0.03 -0.13 0.34 -0.55 -2.79 0.00 0.00 177.10 173.99 1hgg s SER 247 N 1.60 -0.13 -0.03 -4.21 0.15 -0.27 -0.79 113.70 110.02 1hgg s SER 247 Ca 0.01 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.31 1hgg s SER 247 Cb -0.13 0.42 0.06 0.00 -1.71 0.00 0.00 66.02 64.67 1hgg s SER 247 CO -0.05 -0.79 0.89 -3.20 1.20 0.00 0.00 173.24 171.30 1hgg n ASN 248 N -0.08 0.97 0.00 5.45 5.15 -0.99 0.55 115.26 126.31 1hgg n ASN 248 Ca -0.16 -1.96 0.00 0.00 -0.60 0.00 0.00 54.58 51.86 1hgg n ASN 248 Cb 0.63 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 1hgg n ASN 248 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hgg n GLY 249 N -0.43 4.26 2.53 8.20 0.00 -1.26 -4.67 105.19 113.83 1hgg n GLY 249 Ca 0.04 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.96 -4.73 1.61 4.13 -1.26 -2.77 115.26 108.28 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 -1.77 -0.04 0.00 -1.54 0.00 0.00 39.78 36.43 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 4.46 -0.45 3.41 2.96 -1.26 -0.38 118.68 127.41 1hgg s LEU 251 Ca 0.00 1.93 -0.14 0.00 -0.22 0.00 0.00 54.13 55.71 1hgg s LEU 251 Cb 0.00 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.17 1hgg s LEU 251 CO 0.00 -0.22 0.35 -0.63 -1.32 0.00 0.00 176.35 174.53 1hgg s ILE 252 N 0.20 4.93 0.47 6.68 -1.09 -0.67 -3.40 121.20 128.33 1hgg s ILE 252 Ca 0.50 -1.15 -0.18 0.00 -2.23 0.00 0.00 60.65 57.59 1hgg s ILE 252 Cb -0.26 -3.96 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 1hgg s ILE 252 CO 0.32 -0.55 0.95 0.00 -1.23 0.00 0.00 174.94 174.43 1hgg s ALA 253 N 1.58 3.07 0.55 9.38 0.00 -0.14 -1.96 121.76 134.24 1hgg s ALA 253 Ca 0.04 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 52.09 1hgg s ALA 253 Cb -0.24 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 1hgg s ALA 253 CO 0.05 -0.04 1.02 -1.25 0.00 0.00 0.00 175.76 175.53 1hgg s PRO 254 N -3.63 3.69 0.00 0.00 0.04 -1.26 -0.18 135.00 133.66 1hgg s PRO 254 Ca 0.60 1.06 0.21 0.00 0.04 0.00 0.00 61.00 62.91 1hgg s PRO 254 Cb -0.10 -2.09 0.33 0.00 0.04 0.00 0.00 34.50 32.68 1hgg s PRO 254 CO 0.23 -0.49 1.30 0.54 0.04 0.00 0.00 177.00 178.61 1hgg n ARG 255 N -1.77 2.28 -0.60 4.56 1.74 -1.15 -4.72 116.66 116.99 1hgg n ARG 255 Ca 0.07 -2.07 0.00 0.00 -0.77 0.00 0.00 57.85 55.08 1hgg n ARG 255 Cb 0.54 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 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 1.31 -0.12 3.19 -0.13 0.00 -1.26 -1.16 105.19 107.02 1hgg n GLY 256 Ca 0.16 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.79 1.37 0.17 1.61 1.13 -0.34 -4.67 117.35 112.84 1hgg s TYR 257 Ca 0.00 -0.40 -0.21 0.00 -1.41 0.00 0.00 57.07 55.04 1hgg s TYR 257 Cb 0.00 -0.79 -0.08 0.00 -1.10 0.00 0.00 41.96 39.99 1hgg s TYR 257 CO 0.00 0.08 0.71 -0.06 -2.51 0.00 0.00 175.55 173.76 1hgg s PHE 258 N -1.03 3.77 -0.05 -3.49 0.40 -0.34 -0.91 117.98 116.34 1hgg s PHE 258 Ca 0.02 1.45 -0.11 0.00 -0.60 0.00 0.00 56.93 57.69 1hgg s PHE 258 Cb -0.09 -2.64 -0.05 0.00 0.51 0.00 0.00 43.02 40.75 1hgg s PHE 258 CO 0.02 0.45 0.28 -1.59 0.70 0.00 0.00 175.22 175.09 1hgg s LYS 259 N -1.51 3.69 0.01 0.44 -2.85 -0.73 -1.52 119.74 117.27 1hgg s LYS 259 Ca 0.38 0.14 -0.10 0.00 -1.00 0.00 0.00 55.97 55.39 1hgg s LYS 259 Cb -0.19 -3.19 -0.05 0.00 -2.06 0.00 0.00 37.83 32.33 1hgg s LYS 259 CO 0.22 0.72 0.33 -1.64 0.10 0.00 0.00 175.35 175.09 1hgg s MET 260 N -1.13 3.71 0.26 1.78 -1.94 -1.24 -4.74 119.30 116.01 1hgg s MET 260 Ca 0.20 0.13 0.02 0.00 -1.71 0.00 0.00 55.69 54.34 1hgg s MET 260 Cb -0.14 -3.11 -0.01 0.00 2.01 0.00 0.00 34.83 33.57 1hgg s MET 260 CO 0.10 0.65 0.09 2.89 -0.01 0.00 0.00 175.02 178.74 1hgg n ARG 261 N 1.39 0.75 -3.95 2.03 1.85 -1.26 -4.78 116.66 112.70 1hgg n ARG 261 Ca -0.12 -2.16 -0.29 0.00 -1.00 0.00 0.00 57.85 54.28 1hgg n ARG 261 Cb 0.53 1.14 -0.17 0.00 -1.05 0.00 0.00 32.46 32.91 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 -2.48 1.28 0.00 8.89 2.01 -1.26 -4.37 115.64 119.72 1hgg s THR 262 Ca 0.12 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1hgg s THR 262 Cb 0.01 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 71.20 1hgg s THR 262 CO 0.09 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 1hgg n GLY 263 N 4.84 3.11 1.37 4.40 0.00 -1.26 -5.03 105.19 112.63 1hgg n GLY 263 Ca -0.14 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 3.56 -3.03 1.61 2.85 -1.26 -4.98 118.16 116.90 1hgg n LYS 264 Ca 0.00 -3.00 -0.32 0.00 -1.05 0.00 0.00 58.31 53.93 1hgg n LYS 264 Cb 0.00 -2.03 -0.06 0.00 -0.65 0.00 0.00 35.03 32.29 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 -1.51 6.80 0.31 -5.58 0.01 -1.26 -4.88 113.70 107.58 1hgg s SER 265 Ca 0.48 1.38 -0.09 0.00 1.31 0.00 0.00 55.95 59.03 1hgg s SER 265 Cb 0.38 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 64.24 1hgg s SER 265 CO 0.11 -0.26 0.56 -0.24 0.41 0.00 0.00 173.24 173.82 1hgg n SER 266 N -0.51 -1.61 -4.33 2.44 2.88 -0.72 -3.84 113.62 107.93 1hgg n SER 266 Ca 0.04 -2.35 -0.22 0.00 -1.33 0.00 0.00 58.87 55.01 1hgg n SER 266 Cb 0.53 2.75 -0.11 0.00 -0.75 0.00 0.00 64.21 66.63 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 -2.43 1.81 -0.10 2.46 2.07 -1.26 -1.54 121.20 122.22 1hgg s ILE 267 Ca 0.16 -1.93 -0.07 0.00 -1.41 0.00 0.00 60.65 57.40 1hgg s ILE 267 Cb -0.03 -1.85 0.03 0.00 0.13 0.00 0.00 42.46 40.74 1hgg s ILE 267 CO 0.12 -0.33 0.25 -0.32 -1.91 0.00 0.00 174.94 172.74 1hgg s MET 268 N -2.84 0.25 -0.23 3.50 -2.45 0.36 -4.87 119.30 113.01 1hgg s MET 268 Ca 0.16 0.43 -0.14 0.00 -1.25 0.00 0.00 55.69 54.89 1hgg s MET 268 Cb -0.05 0.01 -0.04 0.00 1.25 0.00 0.00 34.83 36.00 1hgg s MET 268 CO 0.07 -0.10 0.32 1.03 1.05 0.00 0.00 175.02 177.39 1hgg s ARG 269 N 0.68 4.10 -0.21 4.11 0.52 -1.26 -0.56 118.95 126.32 1hgg s ARG 269 Ca -0.05 0.02 -0.27 0.00 -0.52 0.00 0.00 55.73 54.92 1hgg s ARG 269 Cb -0.06 -3.57 0.08 0.00 0.52 0.00 0.00 34.95 31.92 1hgg s ARG 269 CO -0.04 -0.08 0.78 0.45 0.02 0.00 0.00 175.30 176.43 1hgg s SER 270 N 1.24 -0.65 -0.08 0.23 0.15 -0.87 -4.79 113.70 108.92 1hgg s SER 270 Ca 0.15 1.12 0.15 0.00 0.70 0.00 0.00 55.95 58.06 1hgg s SER 270 Cb -0.15 1.08 0.52 0.00 -1.71 0.00 0.00 66.02 65.76 1hgg s SER 270 CO 0.08 -0.32 1.44 0.47 1.20 0.00 0.00 173.24 176.10 1hgg n ASP 271 N 2.07 3.84 -4.77 5.45 8.00 -1.26 -4.41 116.55 125.47 1hgg n ASP 271 Ca -0.15 -2.41 -0.37 0.00 0.71 0.00 0.00 54.79 52.57 1hgg n ASP 271 Cb 0.56 -0.44 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 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 -1.75 3.04 0.38 2.24 0.00 -1.26 -4.97 121.76 119.44 1hgg s ALA 272 Ca 0.39 0.95 -0.27 0.00 0.00 0.00 0.00 51.96 53.03 1hgg s ALA 272 Cb 0.25 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 1hgg s ALA 272 CO 0.18 -0.61 1.35 -2.14 0.00 0.00 0.00 175.76 174.53 1hgg s PRO 273 N -2.55 4.08 0.15 0.00 0.02 -1.26 -4.73 135.00 130.71 1hgg s PRO 273 Ca 0.61 2.27 -0.11 0.00 0.02 0.00 0.00 61.00 63.79 1hgg s PRO 273 Cb -0.29 -2.88 -0.07 0.00 0.02 0.00 0.00 34.50 31.28 1hgg s PRO 273 CO 0.36 -0.44 0.49 0.42 -0.33 0.00 0.00 177.00 177.51 1hgg s ILE 274 N -1.19 4.97 0.17 2.83 1.01 -1.26 -0.17 121.20 127.56 1hgg s ILE 274 Ca 0.54 0.55 -0.05 0.00 0.00 0.00 0.00 60.65 61.70 1hgg s ILE 274 Cb -0.41 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1hgg s ILE 274 CO 0.53 0.15 0.19 -0.62 0.00 0.00 0.00 174.94 175.19 1hgg s ASP 275 N -1.97 0.15 -0.46 3.58 2.15 0.01 -4.85 116.67 115.27 1hgg s ASP 275 Ca 0.39 -1.13 -0.13 0.00 0.43 0.00 0.00 52.55 52.12 1hgg s ASP 275 Cb -0.13 0.39 0.08 0.00 -0.30 0.00 0.00 42.92 42.96 1hgg s ASP 275 CO 0.20 -0.85 0.36 -0.89 -0.17 0.00 0.00 175.17 173.82 1hgg s THR 276 N -4.05 4.87 0.06 1.71 2.01 -1.26 -0.20 115.64 118.79 1hgg s THR 276 Ca 0.26 -1.25 -0.27 0.00 0.31 0.00 0.00 61.69 60.74 1hgg s THR 276 Cb 0.05 -3.97 0.09 0.00 0.01 0.00 0.00 72.50 68.68 1hgg s THR 276 CO 0.05 -0.60 0.85 0.00 -0.69 0.00 0.00 174.62 174.23 1hgg s ILE 278 N -3.28 3.94 -0.28 0.00 1.10 -1.26 -3.06 121.20 118.36 1hgg s ILE 278 Ca 0.06 -0.36 -0.12 0.00 -0.51 0.00 0.00 60.65 59.72 1hgg s ILE 278 Cb -0.01 -2.69 0.11 0.00 0.15 0.00 0.00 42.46 40.01 1hgg s ILE 278 CO -0.07 0.53 0.63 -0.55 -2.11 0.00 0.00 174.94 173.37 1hgg s SER 279 N -0.08 -0.98 0.23 4.50 0.15 0.51 -4.92 113.70 113.11 1hgg s SER 279 Ca 0.02 1.48 0.05 0.00 0.70 0.00 0.00 55.95 58.19 1hgg s SER 279 Cb -0.13 1.83 0.21 0.00 -1.71 0.00 0.00 66.02 66.22 1hgg s SER 279 CO 0.02 -0.23 1.53 -0.33 1.20 0.00 0.00 173.24 175.44 1hgg h GLU 280 N 7.61 0.21 -5.19 5.44 3.07 -1.88 -3.35 114.58 120.49 1hgg h GLU 280 Ca -0.23 -0.16 -0.61 0.00 -0.50 0.00 0.00 59.36 57.86 1hgg h GLU 280 Cb 1.15 0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 28.96 1hgg h GLU 280 CO 0.13 0.79 -0.43 0.00 -1.40 0.00 0.00 179.01 178.10 1hgg s ILE 282 N 1.01 2.28 0.06 0.00 1.01 -0.02 -2.75 121.20 122.80 1hgg s ILE 282 Ca 0.10 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.81 1hgg s ILE 282 Cb -0.13 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1hgg s ILE 282 CO 0.04 0.58 -0.17 -0.89 0.00 0.00 0.00 174.94 174.50 1hgg s THR 283 N -0.48 1.36 0.12 2.92 2.01 -1.06 -0.54 115.64 119.96 1hgg s THR 283 Ca 0.06 -1.22 0.29 0.00 0.31 0.00 0.00 61.69 61.13 1hgg s THR 283 Cb -0.11 -1.23 0.29 0.00 0.01 0.00 0.00 72.50 71.45 1hgg s THR 283 CO 0.01 -0.01 1.89 1.55 -0.69 0.00 0.00 174.62 177.36 1hgg h PRO 284 N 4.60 0.00 -0.01 4.92 0.13 -1.87 0.14 132.00 139.91 1hgg h PRO 284 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 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 -2.53 0.52 0.00 1.44 4.13 -1.26 -4.28 115.26 113.28 1hgg n ASN 285 Ca -0.02 -1.22 0.00 0.00 1.68 0.00 0.00 54.58 55.02 1hgg n ASN 285 Cb 0.07 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 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 1.04 2.52 3.79 7.41 0.00 0.50 -3.49 105.19 116.95 1hgg n GLY 286 Ca 0.21 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 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 6.03 0.03 1.61 0.01 -0.11 -2.58 113.70 118.69 1hgg s SER 287 Ca 0.00 1.96 0.03 0.00 1.31 0.00 0.00 55.95 59.25 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 -1.00 -0.09 0.27 0.41 0.00 0.00 173.24 172.83 1hgg s ILE 288 N -2.05 0.64 0.08 1.44 -4.36 -1.11 -2.09 121.20 113.75 1hgg s ILE 288 Ca 0.68 -0.89 -0.30 0.00 -0.26 0.00 0.00 60.65 59.87 1hgg s ILE 288 Cb -0.18 -0.65 -0.05 0.00 1.25 0.00 0.00 42.46 42.83 1hgg s ILE 288 CO 0.26 -0.20 1.09 -2.16 0.24 0.00 0.00 174.94 174.17 1hgg s PRO 289 N -1.20 4.54 -0.38 0.37 0.04 -1.26 -4.29 135.00 132.82 1hgg s PRO 289 Ca -0.05 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.64 1hgg s PRO 289 Cb -0.08 -3.36 0.52 0.00 0.04 0.00 0.00 34.50 31.61 1hgg s PRO 289 CO 0.01 -0.06 1.77 0.27 0.04 0.00 0.00 177.00 179.03 1hgg n ASN 290 N 3.40 4.04 0.05 6.66 6.94 -1.26 -4.11 115.26 130.98 1hgg n ASN 290 Ca 0.06 -3.32 -0.14 0.00 -0.02 0.00 0.00 54.58 51.16 1hgg n ASN 290 Cb 0.48 -0.80 -0.04 0.00 -2.36 0.00 0.00 39.78 37.06 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 0.92 0.62 -3.68 0.53 2.03 -1.95 -3.45 116.42 111.43 1hgg h ASP 291 Ca 0.51 -0.46 -0.49 0.00 -0.73 0.00 0.00 57.03 55.85 1hgg h ASP 291 Cb 2.31 -0.19 0.03 0.00 -0.83 0.00 0.00 39.33 40.65 1hgg h ASP 291 CO 0.94 1.25 0.15 -0.54 -1.03 0.00 0.00 179.24 180.00 1hgg s LYS 292 N -3.42 3.59 0.38 4.15 1.02 -1.26 -5.01 119.74 119.19 1hgg s LYS 292 Ca -0.07 0.31 0.21 0.00 0.02 0.00 0.00 55.97 56.44 1hgg s LYS 292 Cb 0.09 -2.34 0.37 0.00 -0.52 0.00 0.00 37.83 35.43 1hgg s LYS 292 CO 0.87 -0.22 1.60 -1.00 -0.92 0.00 0.00 175.35 175.68 1hgg h PRO 293 N 0.34 0.00 -5.13 -1.68 0.13 -1.87 -3.43 132.00 120.36 1hgg h PRO 293 Ca -0.47 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.31 1hgg h PRO 293 Cb 1.20 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 1hgg h PRO 293 CO 0.62 0.24 -0.74 -0.06 -0.23 0.00 0.00 178.00 177.83 1hgg s PHE 294 N -3.20 1.21 0.06 1.56 0.08 -0.88 -2.03 117.98 114.78 1hgg s PHE 294 Ca 0.04 -0.64 -0.00 0.00 0.12 0.00 0.00 56.93 56.46 1hgg s PHE 294 Cb 0.07 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.84 1hgg s PHE 294 CO 0.69 0.06 -0.04 1.14 -0.10 0.00 0.00 175.22 176.97 1hgg s GLN 295 N -2.91 0.62 -0.04 0.44 1.03 0.49 -0.57 119.66 118.72 1hgg s GLN 295 Ca 0.08 -1.15 0.06 0.00 0.04 0.00 0.00 55.36 54.39 1hgg s GLN 295 Cb -0.03 0.07 0.09 0.00 0.03 0.00 0.00 33.01 33.17 1hgg s GLN 295 CO 0.01 -0.07 0.96 -1.71 -2.54 0.00 0.00 175.29 171.94 1hgg n ASN 296 N 0.31 1.57 0.02 12.60 4.05 -0.11 -0.94 115.26 132.77 1hgg n ASN 296 Ca -0.15 -2.16 -0.11 0.00 0.45 0.00 0.00 54.58 52.61 1hgg n ASN 296 Cb 0.60 -0.15 -0.08 0.00 1.23 0.00 0.00 39.78 41.38 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 1.23 1.04 -1.81 3.44 2.07 -1.86 -3.48 116.25 116.87 1hgg h VAL 297 Ca 0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.20 1hgg h VAL 297 Cb 0.82 1.78 -0.23 0.00 -1.52 0.00 0.00 31.29 32.15 1hgg h VAL 297 CO 0.00 0.28 0.30 0.21 0.02 0.00 0.00 177.57 178.39 1hgg s ASN 298 N -5.63 -0.59 0.22 0.57 3.84 -1.26 -5.00 114.94 107.09 1hgg s ASN 298 Ca -0.13 0.99 0.24 0.00 0.21 0.00 0.00 52.86 54.16 1hgg s ASN 298 Cb 0.00 0.95 0.92 0.00 -0.55 0.00 0.00 41.25 42.57 1hgg s ASN 298 CO 0.51 -0.30 1.72 2.29 -2.79 0.00 0.00 177.10 178.54 1hgg n LYS 299 N 1.95 0.19 -3.35 0.43 2.85 -1.26 -4.57 118.16 114.40 1hgg n LYS 299 Ca -0.14 0.34 -0.40 0.00 -1.05 0.00 0.00 58.31 57.06 1hgg n LYS 299 Cb 0.56 -1.81 -0.09 0.00 -0.65 0.00 0.00 35.03 33.04 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 -3.22 5.14 0.09 0.58 1.01 -1.26 -5.01 121.20 118.52 1hgg s ILE 300 Ca 0.07 0.56 -0.05 0.00 0.00 0.00 0.00 60.65 61.23 1hgg s ILE 300 Cb 0.10 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1hgg s ILE 300 CO 0.45 0.09 0.10 0.42 0.00 0.00 0.00 174.94 175.99 1hgg s THR 301 N 2.14 0.16 -0.02 2.92 -4.23 -1.26 -4.15 115.64 111.20 1hgg s THR 301 Ca 0.16 -1.53 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1hgg s THR 301 Cb -0.16 -1.53 0.03 0.00 1.34 0.00 0.00 72.50 72.18 1hgg s THR 301 CO 0.10 -0.73 0.03 -0.47 -0.54 0.00 0.00 174.62 173.01 1hgg s TYR 302 N -3.91 0.02 0.00 3.99 6.14 0.30 -4.99 117.35 118.89 1hgg s TYR 302 Ca 0.09 0.14 0.00 0.00 0.64 0.00 0.00 57.07 57.94 1hgg s TYR 302 Cb 0.06 -0.22 0.00 0.00 0.42 0.00 0.00 41.96 42.22 1hgg s TYR 302 CO -0.08 -0.09 0.00 0.41 0.64 0.00 0.00 175.55 176.43 1hgg n GLY 303 N 4.14 -1.28 3.56 8.97 0.00 -1.26 -0.84 105.19 118.48 1hgg n GLY 303 Ca -0.27 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.26 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 2.52 0.22 4.61 0.00 -1.17 -4.87 121.76 121.07 1hgg s ALA 304 Ca 0.00 -2.10 0.10 0.00 0.00 0.00 0.00 51.96 49.96 1hgg s ALA 304 Cb 0.00 -4.53 -0.04 0.00 0.00 0.00 0.00 23.12 18.55 1hgg s ALA 304 CO 0.00 -3.84 -0.13 0.00 0.00 0.00 0.00 175.76 171.79 1hgg s PRO 306 N -3.13 2.13 0.01 0.00 0.02 -1.26 -4.95 135.00 127.81 1hgg s PRO 306 Ca 0.26 1.30 -0.30 0.00 0.02 0.00 0.00 61.00 62.28 1hgg s PRO 306 Cb -0.07 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 1hgg s PRO 306 CO 0.15 -1.76 1.20 0.15 -0.33 0.00 0.00 177.00 176.41 1hgg s LYS 307 N -4.69 4.40 0.31 5.54 1.02 -0.86 -4.46 119.74 120.99 1hgg s LYS 307 Ca 0.64 1.73 -0.29 0.00 0.02 0.00 0.00 55.97 58.06 1hgg s LYS 307 Cb -0.19 -3.45 -0.10 0.00 -0.52 0.00 0.00 37.83 33.56 1hgg s LYS 307 CO 0.54 -0.35 1.36 -0.47 -0.92 0.00 0.00 175.35 175.51 1hgg s TYR 308 N 1.61 3.00 0.07 3.18 5.04 -1.26 -0.38 117.35 128.61 1hgg s TYR 308 Ca 0.58 1.27 0.01 0.00 -2.44 0.00 0.00 57.07 56.49 1hgg s TYR 308 Cb -0.27 -3.75 -0.03 0.00 0.35 0.00 0.00 41.96 38.25 1hgg s TYR 308 CO 0.26 -2.21 -0.06 0.54 -1.34 0.00 0.00 175.55 172.74 1hgg s VAL 309 N -0.75 0.54 0.13 3.14 0.11 -0.11 -4.85 120.40 118.61 1hgg s VAL 309 Ca 0.53 -1.55 -0.08 0.00 -2.93 0.00 0.00 61.98 57.95 1hgg s VAL 309 Cb -0.41 -1.19 -0.14 0.00 -1.53 0.00 0.00 36.38 33.12 1hgg s VAL 309 CO 0.50 -0.69 1.36 0.11 -3.33 0.00 0.00 175.10 173.05 1hgg h LYS 310 N 3.64 0.64 -6.91 1.54 1.57 -1.96 -3.41 116.57 111.68 1hgg h LYS 310 Ca -0.35 -0.52 -0.53 0.00 -1.87 0.00 0.00 60.65 57.37 1hgg h LYS 310 Cb 1.18 0.11 0.09 0.00 0.08 0.00 0.00 32.23 33.68 1hgg h LYS 310 CO 0.55 1.14 0.72 -0.65 -0.57 0.00 0.00 179.45 180.64 1hgg s GLN 311 N -3.70 4.22 0.07 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 -3.02 -0.02 0.00 -1.01 0.00 0.00 33.01 29.06 1hgg s GLN 311 CO 0.88 -0.38 0.95 0.27 0.01 0.00 0.00 175.29 177.02 1hgg n ASN 312 N 0.68 0.58 -3.79 5.90 0.23 -1.26 -4.68 115.26 112.92 1hgg n ASN 312 Ca 0.01 -0.06 -0.14 0.00 -0.53 0.00 0.00 54.58 53.86 1hgg n ASN 312 Cb 0.40 0.89 -0.15 0.00 -2.08 0.00 0.00 39.78 38.84 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 -3.28 -0.04 -0.20 5.53 -1.32 -1.26 -4.81 115.64 110.27 1hgg s THR 313 Ca 0.01 0.13 -0.05 0.00 -1.21 0.00 0.00 61.69 60.57 1hgg s THR 313 Cb 0.13 -0.14 0.07 0.00 -1.51 0.00 0.00 72.50 71.05 1hgg s THR 313 CO 0.81 0.05 0.12 -0.76 -2.21 0.00 0.00 174.62 172.64 1hgg s LEU 314 N 0.75 0.28 -0.23 9.08 1.43 -1.26 -4.99 118.68 123.74 1hgg s LEU 314 Ca -0.06 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 1hgg s LEU 314 Cb -0.08 -0.13 -0.05 0.00 0.03 0.00 0.00 46.19 45.96 1hgg s LEU 314 CO -0.03 -0.36 0.22 -0.54 0.23 0.00 0.00 176.35 175.87 1hgg s LYS 315 N 2.17 4.11 -0.34 1.70 1.02 -1.26 -0.69 119.74 126.45 1hgg s LYS 315 Ca 0.04 -0.15 -0.17 0.00 0.02 0.00 0.00 55.97 55.71 1hgg s LYS 315 Cb -0.16 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.61 1hgg s LYS 315 CO -0.14 0.06 0.47 -1.17 -0.92 0.00 0.00 175.35 173.65 1hgg s LEU 316 N 1.06 4.34 0.27 3.17 2.96 0.67 -4.65 118.68 126.51 1hgg s LEU 316 Ca 0.10 -0.04 -0.31 0.00 -0.22 0.00 0.00 54.13 53.67 1hgg s LEU 316 Cb -0.14 -2.53 -0.12 0.00 0.50 0.00 0.00 46.19 43.91 1hgg s LEU 316 CO 0.05 -0.43 1.57 0.00 -1.32 0.00 0.00 176.35 176.22 1hgg n ALA 317 N 5.63 2.25 -1.55 5.97 0.00 -1.26 -0.58 120.51 130.97 1hgg n ALA 317 Ca -0.06 0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.83 1hgg n ALA 317 Cb 0.49 -2.43 0.15 0.00 0.00 0.00 0.00 19.45 17.67 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 2.28 1.73 -3.84 0.00 -2.24 -0.27 -4.86 114.28 107.08 1hgg n THR 318 Ca 0.10 -2.48 -0.07 0.00 -2.27 0.00 0.00 64.05 59.33 1hgg n THR 318 Cb 0.35 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.84 -0.06 1.23 3.38 0.00 -1.16 -4.78 107.32 103.09 1hgg s GLY 319 Ca 0.33 -0.30 -0.20 0.00 0.00 0.00 0.00 44.72 44.54 1hgg s GLY 319 CO -0.04 -0.07 1.12 -3.16 0.00 0.00 0.00 173.10 170.95 1hgg s MET 320 N -3.66 -1.47 0.52 2.90 0.23 -1.26 -4.47 119.30 112.10 1hgg s MET 320 Ca 0.12 -0.20 -0.22 0.00 -1.03 0.00 0.00 55.69 54.36 1hgg s MET 320 Cb -0.05 -1.58 -0.06 0.00 -1.53 0.00 0.00 34.83 31.61 1hgg s MET 320 CO 0.07 -3.85 1.26 0.50 -2.03 0.00 0.00 175.02 170.97 1hgg s ARG 321 N -5.52 3.35 -0.47 3.16 3.52 -1.26 -1.14 118.95 120.59 1hgg s ARG 321 Ca 0.72 2.00 -0.18 0.00 -0.13 0.00 0.00 55.73 58.14 1hgg s ARG 321 Cb -0.07 -2.26 0.05 0.00 -1.56 0.00 0.00 34.95 31.10 1hgg s ARG 321 CO 0.56 -0.95 0.50 1.21 -0.81 0.00 0.00 175.30 175.81 1hgg s ASN 322 N -1.21 6.20 -0.78 -2.12 2.47 -0.70 -4.52 114.94 114.29 1hgg s ASN 322 Ca 0.69 -0.91 0.03 0.00 0.42 0.00 0.00 52.86 53.09 1hgg s ASN 322 Cb -0.34 -2.24 0.20 0.00 -1.45 0.00 0.00 41.25 37.42 1hgg s ASN 322 CO 0.40 -0.72 0.66 0.52 -3.72 0.00 0.00 177.10 174.24 1hgg n VAL 323 N 5.46 2.31 -0.78 -5.21 0.31 -1.26 -4.87 118.33 114.29 1hgg n VAL 323 Ca -0.08 -5.03 -0.29 0.00 -0.01 0.00 0.00 64.34 58.93 1hgg n VAL 323 Cb 0.46 -2.24 0.21 0.00 -0.91 0.00 0.00 33.84 31.36 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 -1.62 -0.09 -0.04 5.55 0.04 -1.26 -4.88 135.00 132.69 1hgg s PRO 324 Ca 0.28 0.88 -0.22 0.00 0.04 0.00 0.00 61.00 61.97 1hgg s PRO 324 Cb -0.02 -1.65 -0.17 0.00 0.04 0.00 0.00 34.50 32.70 1hgg s PRO 324 CO -0.13 -3.18 0.96 0.93 0.04 0.00 0.00 177.00 175.63 1hgg h GLU 325 N -2.23 -0.20 0.00 4.56 5.08 -1.96 -3.42 114.58 116.41 1hgg h GLU 325 Ca -0.56 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1hgg h GLU 325 Cb 1.32 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1hgg h GLU 325 CO 0.51 0.24 -0.15 0.36 -1.00 0.00 0.00 179.01 178.97 1hgg n LYS 326 N -4.93 0.10 -3.84 2.33 0.00 -1.26 -5.12 118.16 105.44 1hgg n LYS 326 Ca -0.08 0.16 -0.03 0.00 -0.00 0.00 0.00 58.31 58.36 1hgg n LYS 326 Cb 0.27 -0.80 0.01 0.00 -0.00 0.00 0.00 35.03 34.51 1hgg n LYS 326 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1hgg s GLN 327 N -1.32 1.23 0.00 -1.58 -1.52 -1.26 -5.25 119.66 109.97 1hgg s GLN 327 Ca -0.04 -0.77 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 1hgg s GLN 327 Cb 0.01 0.36 0.00 0.00 -0.22 0.00 0.00 33.01 33.16 1hgg s GLN 327 CO 0.07 -0.57 0.00 0.25 -0.25 0.00 0.00 175.29 174.78