#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hug n GLY 6 N 0.00 3.04 0.08 -1.67 0.00 -0.23 -5.00 105.19 101.41 1hug n GLY 6 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.48 1hug n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hug n TYR 7 N 0.00 0.04 -2.25 1.61 4.02 -1.26 -3.45 117.16 115.88 1hug n TYR 7 Ca 0.00 -0.35 -0.26 0.00 -0.01 0.00 0.00 57.90 57.28 1hug n TYR 7 Cb 0.00 -0.03 0.10 0.00 -0.02 0.00 0.00 39.34 39.39 1hug n TYR 7 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1hug s ASP 8 N -0.74 4.31 0.20 7.72 1.01 -1.26 -4.58 116.67 123.33 1hug s ASP 8 Ca 0.03 0.20 -0.11 0.00 0.71 0.00 0.00 52.55 53.38 1hug s ASP 8 Cb 0.02 -0.64 0.23 0.00 1.01 0.00 0.00 42.92 43.53 1hug s ASP 8 CO 0.02 -1.92 1.75 0.44 0.21 0.00 0.00 175.17 175.67 1hug h ASP 9 N -0.81 0.22 -0.15 0.27 5.19 -1.97 0.87 116.42 120.05 1hug h ASP 9 Ca -0.42 0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 55.98 1hug h ASP 9 Cb 1.28 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.82 1hug h ASP 9 CO 0.50 0.14 -0.14 0.50 -3.12 0.00 0.00 179.24 177.12 1hug h LYS 10 N 0.40 0.53 0.00 3.56 1.63 -1.99 -3.37 116.57 117.32 1hug h LYS 10 Ca 0.28 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1hug h LYS 10 Cb 0.32 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1hug h LYS 10 CO -0.27 0.66 -0.38 0.27 -3.45 0.00 0.00 179.45 176.28 1hug n ASN 11 N -4.18 0.00 -3.51 4.20 0.23 -0.97 -4.94 115.26 106.09 1hug n ASN 11 Ca 0.01 -1.75 -0.25 0.00 -0.53 0.00 0.00 54.58 52.06 1hug n ASN 11 Cb 0.34 -0.15 0.18 0.00 -2.08 0.00 0.00 39.78 38.07 1hug n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hug n GLY 12 N 0.00 -1.89 0.31 4.83 0.00 0.30 -1.07 105.19 107.67 1hug n GLY 12 Ca 0.00 -1.63 0.31 0.00 0.00 0.00 0.00 46.02 44.70 1hug n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hug n PRO 13 N -3.67 -0.06 0.22 1.61 -0.01 -1.26 -1.24 135.00 130.59 1hug n PRO 13 Ca 0.13 1.34 0.15 0.00 -0.01 0.00 0.00 63.50 65.12 1hug n PRO 13 Cb 0.48 -2.41 0.62 0.00 -0.01 0.00 0.00 33.50 32.18 1hug n PRO 13 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1hug h GLU 14 N 0.00 0.00 0.00 -0.52 4.39 -1.92 -3.11 114.58 113.43 1hug h GLU 14 Ca 0.82 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.47 1hug h GLU 14 Cb 2.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.81 1hug h GLU 14 CO -0.75 0.00 -1.84 1.04 -1.16 0.00 0.00 179.01 176.30 1hug n GLN 15 N -2.72 0.65 -0.23 2.33 1.13 -0.37 -4.54 117.38 113.62 1hug n GLN 15 Ca 0.01 -0.09 0.22 0.00 -1.94 0.00 0.00 57.00 55.20 1hug n GLN 15 Cb 0.26 -1.59 0.57 0.00 0.11 0.00 0.00 30.24 29.59 1hug n GLN 15 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 1hug h TRP 16 N 0.00 0.41 -0.60 1.08 6.55 -1.46 0.24 115.95 122.17 1hug h TRP 16 Ca -0.08 0.01 -0.03 0.00 0.95 0.00 0.00 58.89 59.74 1hug h TRP 16 Cb 1.20 -0.13 -0.03 0.00 -0.86 0.00 0.00 29.16 29.34 1hug h TRP 16 CO 0.00 0.10 0.25 0.66 -1.05 0.00 0.00 178.44 178.40 1hug h SER 17 N 0.30 0.81 -1.51 -3.49 4.64 -1.78 1.04 113.55 113.56 1hug h SER 17 Ca 0.47 -0.16 0.44 0.00 -0.47 0.00 0.00 61.79 62.07 1hug h SER 17 Cb 1.34 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 63.15 1hug h SER 17 CO -0.15 0.75 1.07 0.11 -0.87 0.00 0.00 176.83 177.74 1hug h LYS 18 N 0.82 0.02 0.00 4.77 1.57 -0.83 -2.71 116.57 120.22 1hug h LYS 18 Ca 0.20 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.82 1hug h LYS 18 Cb 0.18 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1hug h LYS 18 CO -0.02 0.02 -1.61 1.28 -0.57 0.00 0.00 179.45 178.55 1hug n LEU 19 N -4.15 0.15 -3.72 2.94 4.32 -0.35 -4.86 117.00 111.33 1hug n LEU 19 Ca 0.34 -0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 56.04 1hug n LEU 19 Cb 1.56 0.19 -0.12 0.00 -1.62 0.00 0.00 43.42 43.42 1hug n LEU 19 CO 0.40 0.24 -0.18 -0.31 -1.22 0.00 0.00 177.39 176.32 1hug s TYR 20 N -2.21 2.42 0.57 -1.77 1.51 0.35 -4.97 117.35 113.25 1hug s TYR 20 Ca -0.05 -2.79 0.34 0.00 -1.01 0.00 0.00 57.07 53.57 1hug s TYR 20 Cb 0.03 -2.01 1.46 0.00 -0.11 0.00 0.00 41.96 41.32 1hug s TYR 20 CO 0.36 -0.70 1.74 -1.35 -1.11 0.00 0.00 175.55 174.49 1hug h PRO 21 N 5.97 0.00 -0.01 -1.71 0.11 -1.77 1.13 132.00 135.71 1hug h PRO 21 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1hug h PRO 21 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1hug h PRO 21 CO 0.55 0.00 0.04 0.97 -0.21 0.00 0.00 178.00 179.36 1hug h ILE 22 N 0.00 0.14 -0.27 4.15 6.09 -1.93 -1.29 117.51 124.41 1hug h ILE 22 Ca 0.48 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 64.05 1hug h ILE 22 Cb 2.17 0.96 -0.01 0.00 0.47 0.00 0.00 36.82 40.41 1hug h ILE 22 CO -0.01 0.00 0.41 0.00 -3.07 0.00 0.00 178.15 175.49 1hug h ALA 23 N 1.93 1.85 -0.53 0.18 0.00 0.10 0.69 119.26 123.48 1hug h ALA 23 Ca 0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1hug h ALA 23 Cb 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1hug h ALA 23 CO -0.00 -0.55 0.12 0.09 0.00 0.00 0.00 179.25 178.92 1hug n ASN 24 N -3.42 4.19 -3.55 0.00 5.03 -0.49 -4.95 115.26 112.07 1hug n ASN 24 Ca 0.04 -3.25 -0.29 0.00 0.87 0.00 0.00 54.58 51.94 1hug n ASN 24 Cb 0.54 -0.67 0.25 0.00 -1.02 0.00 0.00 39.78 38.88 1hug n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hug n GLY 25 N -0.41 -2.72 0.52 7.41 0.00 0.24 -4.99 105.19 105.24 1hug n GLY 25 Ca 0.34 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.97 1hug n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hug n ASN 26 N -4.81 1.91 -2.39 1.61 3.02 -1.26 -4.30 115.26 109.04 1hug n ASN 26 Ca 0.15 -1.45 -0.17 0.00 -0.03 0.00 0.00 54.58 53.08 1hug n ASN 26 Cb 0.58 0.24 0.02 0.00 -0.61 0.00 0.00 39.78 40.02 1hug n ASN 26 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hug n ASN 27 N 0.11 3.63 -4.83 6.41 3.02 -1.26 -4.66 115.26 117.68 1hug n ASN 27 Ca 0.12 -3.19 -0.34 0.00 -0.03 0.00 0.00 54.58 51.15 1hug n ASN 27 Cb 0.45 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 1hug n ASN 27 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1hug s GLN 28 N -3.59 4.11 0.24 3.52 -1.52 -1.26 -2.59 119.66 118.57 1hug s GLN 28 Ca 0.42 0.76 0.11 0.00 -1.95 0.00 0.00 55.36 54.69 1hug s GLN 28 Cb 0.39 -2.60 -0.05 0.00 -0.22 0.00 0.00 33.01 30.53 1hug s GLN 28 CO -0.03 0.24 -0.14 -1.12 -0.25 0.00 0.00 175.29 174.00 1hug s SER 29 N -2.03 3.90 0.94 5.90 0.01 -1.26 -4.70 113.70 116.46 1hug s SER 29 Ca 0.50 -0.83 -0.13 0.00 1.31 0.00 0.00 55.95 56.80 1hug s SER 29 Cb -0.13 -0.49 0.20 0.00 0.21 0.00 0.00 66.02 65.81 1hug s SER 29 CO 0.19 0.06 1.28 -2.16 0.41 0.00 0.00 173.24 173.01 1hug s PRO 30 N -3.26 0.65 0.11 12.44 0.04 -1.26 -4.65 135.00 139.08 1hug s PRO 30 Ca 0.28 -0.65 -0.02 0.00 0.04 0.00 0.00 61.00 60.65 1hug s PRO 30 Cb -0.07 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1hug s PRO 30 CO 0.15 -2.34 0.06 0.14 0.04 0.00 0.00 177.00 175.05 1hug s VAL 31 N -3.78 0.13 -0.13 -0.36 -7.23 -1.26 -0.85 120.40 106.92 1hug s VAL 31 Ca 0.74 -1.83 -0.17 0.00 -1.81 0.00 0.00 61.98 58.91 1hug s VAL 31 Cb -0.03 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1hug s VAL 31 CO 0.52 -0.57 0.43 -0.62 -0.31 0.00 0.00 175.10 174.55 1hug s ASP 32 N -3.01 6.63 -0.47 4.85 2.15 -1.26 -3.26 116.67 122.29 1hug s ASP 32 Ca 0.19 0.74 -0.19 0.00 0.43 0.00 0.00 52.55 53.72 1hug s ASP 32 Cb 0.07 -2.26 0.04 0.00 -0.30 0.00 0.00 42.92 40.47 1hug s ASP 32 CO -0.01 0.03 0.61 -0.63 -0.17 0.00 0.00 175.17 174.99 1hug s ILE 33 N 0.58 4.88 -0.55 4.11 1.01 0.40 -4.95 121.20 126.67 1hug s ILE 33 Ca 0.24 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 1hug s ILE 33 Cb -0.15 -4.24 0.09 0.00 0.01 0.00 0.00 42.46 38.17 1hug s ILE 33 CO 0.09 -0.69 0.65 -0.54 0.00 0.00 0.00 174.94 174.44 1hug s LYS 34 N 2.66 3.06 0.62 2.79 1.02 -1.26 0.31 119.74 128.93 1hug s LYS 34 Ca 0.17 -1.21 0.36 0.00 0.02 0.00 0.00 55.97 55.31 1hug s LYS 34 Cb -0.17 -4.21 2.06 0.00 -0.52 0.00 0.00 37.83 35.00 1hug s LYS 34 CO 0.15 -1.40 2.30 1.79 -0.92 0.00 0.00 175.35 177.27 1hug h THR 35 N 5.89 0.32 0.00 2.17 1.35 -1.96 -1.57 112.91 119.11 1hug h THR 35 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1hug h THR 35 Cb 1.09 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1hug h THR 35 CO 1.04 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 177.08 1hug h SER 36 N 0.00 0.00 -0.32 5.36 4.64 -2.03 -3.24 113.55 117.96 1hug h SER 36 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hug h SER 36 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1hug h SER 36 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1hug n GLU 37 N -2.80 2.88 -2.02 4.77 1.02 -0.60 -5.03 120.64 118.88 1hug n GLU 37 Ca 0.02 -2.10 -0.32 0.00 -0.02 0.00 0.00 57.16 54.75 1hug n GLU 37 Cb 0.35 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1hug n GLU 37 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1hug s THR 38 N -1.19 4.36 -0.17 2.62 -4.23 -1.20 -4.73 115.64 111.11 1hug s THR 38 Ca 0.24 0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 61.66 1hug s THR 38 Cb 0.14 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 1hug s THR 38 CO 0.14 -0.83 -0.05 -0.54 -0.54 0.00 0.00 174.62 172.80 1hug s LYS 39 N -4.60 3.53 -0.10 3.99 -0.14 0.65 -4.90 119.74 118.18 1hug s LYS 39 Ca 0.58 -0.58 -0.30 0.00 -1.36 0.00 0.00 55.97 54.32 1hug s LYS 39 Cb -0.12 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 33.10 1hug s LYS 39 CO 0.44 0.10 1.30 -1.58 -0.76 0.00 0.00 175.35 174.84 1hug s HIS 40 N 0.72 2.87 -0.25 3.18 5.65 -1.26 -1.41 115.29 124.80 1hug s HIS 40 Ca -0.02 0.97 -0.03 0.00 0.25 0.00 0.00 55.06 56.22 1hug s HIS 40 Cb -0.15 -3.54 0.01 0.00 -1.18 0.00 0.00 32.58 27.73 1hug s HIS 40 CO 0.02 -1.87 -0.03 0.34 -0.65 0.00 0.00 174.74 172.55 1hug s ASP 41 N 1.94 4.43 0.00 9.88 -1.08 -0.87 -4.93 116.67 126.04 1hug s ASP 41 Ca 0.58 -0.66 0.29 0.00 -0.52 0.00 0.00 52.55 52.24 1hug s ASP 41 Cb -0.25 -1.73 1.49 0.00 -1.46 0.00 0.00 42.92 40.98 1hug s ASP 41 CO 0.19 -0.10 2.01 0.35 0.52 0.00 0.00 175.17 178.15 1hug n THR 42 N 4.75 0.06 0.18 1.71 -2.24 -1.26 -2.97 114.28 114.50 1hug n THR 42 Ca -0.17 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1hug n THR 42 Cb 0.49 -0.54 0.10 0.00 -2.10 0.00 0.00 70.33 68.28 1hug n THR 42 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1hug h SER 43 N 0.00 0.00 -2.65 3.42 4.64 -1.97 -3.46 113.55 113.53 1hug h SER 43 Ca 0.00 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1hug h SER 43 Cb 0.23 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.38 1hug h SER 43 CO 0.00 0.00 0.99 0.18 -0.87 0.00 0.00 176.83 177.13 1hug n LEU 44 N -2.91 3.94 -4.90 5.97 4.77 -1.16 -4.94 117.00 117.77 1hug n LEU 44 Ca 0.02 1.07 -0.21 0.00 -0.03 0.00 0.00 56.01 56.86 1hug n LEU 44 Cb 0.54 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1hug n LEU 44 CO 0.36 0.14 -0.09 -0.54 -1.33 0.00 0.00 177.39 175.94 1hug s LYS 45 N 1.05 3.14 0.48 3.23 1.02 -0.84 -4.95 119.74 122.88 1hug s LYS 45 Ca 0.75 -0.95 -0.24 0.00 0.02 0.00 0.00 55.97 55.55 1hug s LYS 45 Cb -0.52 -2.71 -0.07 0.00 -0.52 0.00 0.00 37.83 34.01 1hug s LYS 45 CO 0.34 0.36 1.37 -2.14 -0.92 0.00 0.00 175.35 174.36 1hug s PRO 46 N -3.94 3.51 0.28 -1.68 0.02 -1.26 -0.85 135.00 131.07 1hug s PRO 46 Ca 0.35 2.27 -0.28 0.00 0.02 0.00 0.00 61.00 63.36 1hug s PRO 46 Cb -0.08 -2.49 -0.09 0.00 0.02 0.00 0.00 34.50 31.85 1hug s PRO 46 CO 0.27 -0.91 0.95 0.96 -0.33 0.00 0.00 177.00 177.94 1hug s ILE 47 N -1.27 4.11 -0.12 2.83 -5.25 -1.26 -2.33 121.20 117.90 1hug s ILE 47 Ca 0.65 1.95 0.01 0.00 -0.99 0.00 0.00 60.65 62.26 1hug s ILE 47 Cb -0.41 -4.17 0.02 0.00 2.95 0.00 0.00 42.46 40.85 1hug s ILE 47 CO 0.51 0.34 -0.13 -0.55 -1.79 0.00 0.00 174.94 173.31 1hug s SER 48 N -1.36 2.45 -0.10 4.36 0.15 0.17 -4.91 113.70 114.45 1hug s SER 48 Ca 0.45 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.70 1hug s SER 48 Cb -0.23 -1.05 -0.02 0.00 -1.71 0.00 0.00 66.02 63.00 1hug s SER 48 CO 0.29 -0.05 -0.12 0.68 1.20 0.00 0.00 173.24 175.24 1hug s VAL 49 N 1.36 3.24 -0.35 4.45 -7.23 -1.26 -0.62 120.40 119.99 1hug s VAL 49 Ca 0.01 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.55 1hug s VAL 49 Cb -0.13 -2.33 0.12 0.00 0.56 0.00 0.00 36.38 34.60 1hug s VAL 49 CO -0.07 0.55 0.18 -0.55 -0.31 0.00 0.00 175.10 174.90 1hug s SER 50 N -0.17 3.43 0.00 4.85 0.15 -0.81 -5.05 113.70 116.10 1hug s SER 50 Ca 0.00 -1.96 0.02 0.00 0.70 0.00 0.00 55.95 54.72 1hug s SER 50 Cb -0.13 -0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 63.55 1hug s SER 50 CO 0.03 -0.35 -0.01 -0.31 1.20 0.00 0.00 173.24 173.80 1hug s TYR 51 N 1.28 3.05 -0.23 3.44 2.02 -1.26 -1.23 117.35 124.41 1hug s TYR 51 Ca 0.14 0.06 -0.06 0.00 -0.37 0.00 0.00 57.07 56.84 1hug s TYR 51 Cb -0.21 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 1hug s TYR 51 CO -0.13 0.45 0.03 1.21 -1.57 0.00 0.00 175.55 175.55 1hug s ASN 52 N -1.59 4.90 0.59 2.29 3.84 -1.25 -4.96 114.94 118.76 1hug s ASN 52 Ca 0.20 -0.24 0.29 0.00 0.21 0.00 0.00 52.86 53.32 1hug s ASN 52 Cb -0.11 -1.86 1.75 0.00 -0.55 0.00 0.00 41.25 40.47 1hug s ASN 52 CO 0.10 -0.01 2.18 1.55 -2.79 0.00 0.00 177.10 178.13 1hug h PRO 53 N 8.06 0.00 0.00 0.43 0.13 -1.94 -0.48 132.00 138.21 1hug h PRO 53 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1hug h PRO 53 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1hug h PRO 53 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 1hug n ALA 54 N -2.32 1.40 0.59 -0.56 0.00 -1.26 -1.35 120.51 117.01 1hug n ALA 54 Ca -0.01 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1hug n ALA 54 Cb 0.21 -1.33 0.34 0.00 0.00 0.00 0.00 19.45 18.67 1hug n ALA 54 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1hug h THR 55 N 0.00 0.00 -3.49 0.00 1.35 -1.40 -3.45 112.91 105.91 1hug h THR 55 Ca 0.00 -0.52 -0.53 0.00 -0.55 0.00 0.00 66.41 64.81 1hug h THR 55 Cb 0.20 1.42 0.08 0.00 -1.73 0.00 0.00 68.15 68.12 1hug h THR 55 CO 0.00 0.00 0.82 0.00 -0.25 0.00 0.00 175.52 176.09 1hug s ALA 56 N -3.12 3.67 0.10 6.62 0.00 -0.46 -1.08 121.76 127.49 1hug s ALA 56 Ca 0.09 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1hug s ALA 56 Cb 0.12 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1hug s ALA 56 CO 0.63 -0.93 0.00 1.17 0.00 0.00 0.00 175.76 176.63 1hug n LYS 57 N 1.79 0.00 -3.83 0.00 4.81 -0.40 -4.46 118.16 116.08 1hug n LYS 57 Ca 0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.40 1hug n LYS 57 Cb 0.39 -0.34 -0.06 0.00 0.02 0.00 0.00 35.03 35.04 1hug n LYS 57 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1hug s GLU 58 N -1.77 1.18 -0.08 1.64 -1.05 -0.89 -1.64 118.70 116.09 1hug s GLU 58 Ca 0.00 -0.98 0.05 0.00 -0.15 0.00 0.00 54.97 53.89 1hug s GLU 58 Cb 0.00 0.43 -0.00 0.00 -0.44 0.00 0.00 34.13 34.12 1hug s GLU 58 CO 0.00 -0.46 -0.23 -1.50 0.95 0.00 0.00 175.26 174.02 1hug s ILE 59 N -3.90 1.94 -0.03 1.83 2.07 0.38 -0.23 121.20 123.27 1hug s ILE 59 Ca 0.11 -0.98 -0.03 0.00 -1.41 0.00 0.00 60.65 58.34 1hug s ILE 59 Cb 0.02 -1.67 0.01 0.00 0.13 0.00 0.00 42.46 40.95 1hug s ILE 59 CO -0.04 0.54 0.09 -0.51 -1.91 0.00 0.00 174.94 173.11 1hug s ILE 60 N 0.13 0.01 -0.40 2.00 2.07 -0.13 -0.84 121.20 124.04 1hug s ILE 60 Ca -0.11 -0.07 -0.25 0.00 -1.41 0.00 0.00 60.65 58.81 1hug s ILE 60 Cb -0.16 -0.15 0.02 0.00 0.13 0.00 0.00 42.46 42.30 1hug s ILE 60 CO 0.06 -0.04 0.88 0.21 -1.91 0.00 0.00 174.94 174.15 1hug s ASN 61 N -0.07 6.57 -0.17 4.50 3.84 -0.60 -0.87 114.94 128.14 1hug s ASN 61 Ca -0.01 0.33 0.16 0.00 0.21 0.00 0.00 52.86 53.55 1hug s ASN 61 Cb -0.01 -2.44 0.73 0.00 -0.55 0.00 0.00 41.25 38.97 1hug s ASN 61 CO 0.00 -0.89 1.64 1.33 -2.79 0.00 0.00 177.10 176.39 1hug n VAL 62 N 6.09 2.26 0.00 -5.21 0.24 -0.17 -0.71 118.33 120.83 1hug n VAL 62 Ca 0.06 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 60.98 1hug n VAL 62 Cb 0.48 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1hug n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hug n GLY 63 N 0.68 2.07 0.02 7.63 0.00 -1.26 -4.42 105.19 109.90 1hug n GLY 63 Ca 0.26 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1hug n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1hug n HIS 64 N 0.00 0.00 -3.60 1.61 1.44 -1.26 -4.22 115.22 109.18 1hug n HIS 64 Ca 0.00 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1hug n HIS 64 Cb 0.00 -0.21 0.00 0.00 0.12 0.00 0.00 29.99 29.90 1hug n HIS 64 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1hug n SER 65 N -1.43 -0.01 -4.07 4.39 2.88 -1.26 -4.72 113.62 109.39 1hug n SER 65 Ca 0.06 -1.00 -0.20 0.00 -1.33 0.00 0.00 58.87 56.39 1hug n SER 65 Cb 0.34 0.02 -0.15 0.00 -0.75 0.00 0.00 64.21 63.67 1hug n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1hug s PHE 66 N -4.76 1.02 -0.01 0.66 -0.12 -1.26 -1.00 117.98 112.50 1hug s PHE 66 Ca 0.00 -0.21 0.08 0.00 -0.05 0.00 0.00 56.93 56.75 1hug s PHE 66 Cb -0.00 -0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 41.72 1hug s PHE 66 CO 0.00 -0.01 -0.25 -1.01 -0.05 0.00 0.00 175.22 173.90 1hug s HIS 67 N -0.35 2.37 -0.35 3.49 3.76 -0.04 -4.43 115.29 119.73 1hug s HIS 67 Ca 0.04 -0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 54.43 1hug s HIS 67 Cb -0.05 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 32.15 1hug s HIS 67 CO -0.00 0.01 0.20 0.08 -0.85 0.00 0.00 174.74 174.18 1hug s VAL 68 N -0.65 4.75 -0.04 -0.90 1.01 -0.73 -0.95 120.40 122.89 1hug s VAL 68 Ca 0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1hug s VAL 68 Cb -0.10 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1hug s VAL 68 CO -0.00 -0.11 0.16 0.20 0.00 0.00 0.00 175.10 175.34 1hug s ASN 69 N 1.61 6.31 0.13 3.32 0.01 0.68 -1.20 114.94 125.80 1hug s ASN 69 Ca 0.04 0.36 0.11 0.00 -0.71 0.00 0.00 52.86 52.66 1hug s ASN 69 Cb -0.18 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 1hug s ASN 69 CO 0.07 0.31 -0.27 -0.36 -1.51 0.00 0.00 177.10 175.34 1hug s PHE 70 N -1.23 2.31 0.04 2.20 0.40 -0.92 -1.27 117.98 119.50 1hug s PHE 70 Ca 0.23 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 55.88 1hug s PHE 70 Cb -0.12 -1.26 -0.07 0.00 0.51 0.00 0.00 43.02 42.08 1hug s PHE 70 CO 0.14 0.33 1.48 -1.21 0.70 0.00 0.00 175.22 176.66 1hug s GLU 71 N -2.02 4.26 -0.36 0.44 2.02 -0.24 -4.80 118.70 118.00 1hug s GLU 71 Ca 0.14 2.10 0.11 0.00 0.02 0.00 0.00 54.97 57.34 1hug s GLU 71 Cb -0.10 -3.54 0.45 0.00 0.10 0.00 0.00 34.13 31.04 1hug s GLU 71 CO 0.06 -0.61 1.07 -0.40 0.02 0.00 0.00 175.26 175.39 1hug n ASP 72 N 5.27 3.35 -0.47 -0.19 5.75 -1.26 -4.76 116.55 124.24 1hug n ASP 72 Ca 0.14 -3.23 0.11 0.00 -0.01 0.00 0.00 54.79 51.81 1hug n ASP 72 Cb 0.42 -0.47 0.08 0.00 -1.03 0.00 0.00 41.12 40.12 1hug n ASP 72 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1hug n ASN 73 N -0.38 1.87 -2.06 -1.12 0.23 -1.26 -4.98 115.26 107.56 1hug n ASN 73 Ca 0.27 -1.42 -0.06 0.00 -0.53 0.00 0.00 54.58 52.84 1hug n ASN 73 Cb 0.76 0.39 0.00 0.00 -2.08 0.00 0.00 39.78 38.85 1hug n ASN 73 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1hug n ASP 74 N -0.09 -1.06 -2.08 0.53 5.68 -1.26 -5.05 116.55 113.23 1hug n ASP 74 Ca 0.10 -1.97 -0.22 0.00 -0.50 0.00 0.00 54.79 52.20 1hug n ASP 74 Cb 0.45 1.83 0.14 0.00 -1.14 0.00 0.00 41.12 42.40 1hug n ASP 74 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1hug n ASN 75 N -1.54 4.22 -0.27 -1.12 4.13 -1.26 -4.48 115.26 114.94 1hug n ASN 75 Ca -0.03 -3.41 -0.06 0.00 1.68 0.00 0.00 54.58 52.77 1hug n ASN 75 Cb 0.33 -0.82 0.06 0.00 -1.54 0.00 0.00 39.78 37.81 1hug n ASN 75 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1hug h ARG 76 N 1.01 1.06 -4.82 3.52 3.08 -1.94 -3.40 114.38 112.89 1hug h ARG 76 Ca 0.54 -0.14 -0.66 0.00 0.07 0.00 0.00 59.98 59.79 1hug h ARG 76 Cb 2.33 -0.20 -0.37 0.00 0.08 0.00 0.00 29.97 31.82 1hug h ARG 76 CO 1.01 0.81 -0.81 -1.12 -1.07 0.00 0.00 179.97 178.79 1hug s SER 77 N -6.12 3.93 0.04 7.04 0.01 -1.26 -3.81 113.70 113.53 1hug s SER 77 Ca -0.13 -1.13 -0.01 0.00 1.31 0.00 0.00 55.95 55.99 1hug s SER 77 Cb 0.15 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.90 1hug s SER 77 CO 0.81 -0.14 -0.02 0.68 0.41 0.00 0.00 173.24 174.97 1hug s VAL 78 N 1.22 0.19 -0.12 3.43 -7.23 -0.37 -1.83 120.40 115.69 1hug s VAL 78 Ca -0.04 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1hug s VAL 78 Cb -0.18 -1.15 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 1hug s VAL 78 CO -0.07 -0.85 -0.11 -0.22 -0.31 0.00 0.00 175.10 173.54 1hug s LEU 79 N -2.49 2.84 0.17 1.32 2.96 0.14 -1.92 118.68 121.70 1hug s LEU 79 Ca 0.00 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1hug s LEU 79 Cb 0.03 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1hug s LEU 79 CO -0.07 0.21 0.20 -0.54 -1.32 0.00 0.00 176.35 174.83 1hug s LYS 80 N 0.10 1.13 0.96 1.98 1.02 0.21 -1.24 119.74 123.91 1hug s LYS 80 Ca -0.05 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.60 1hug s LYS 80 Cb -0.14 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 1hug s LYS 80 CO 0.04 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 1hug n GLY 81 N -0.20 -0.89 7.00 -3.33 0.00 -1.26 0.42 105.19 106.93 1hug n GLY 81 Ca -0.05 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1hug n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hug n GLY 82 N 0.00 2.99 0.12 -0.02 0.00 -0.03 -1.75 105.19 106.49 1hug n GLY 82 Ca 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.84 1hug n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hug n PRO 83 N 14.00 0.79 -3.05 1.61 -0.04 -1.26 -1.98 135.00 145.07 1hug n PRO 83 Ca 0.00 -0.24 -0.31 0.00 -0.04 0.00 0.00 63.50 62.91 1hug n PRO 83 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1hug n PRO 83 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1hug s PHE 84 N -2.37 3.43 -0.08 0.54 0.08 -0.72 -4.99 117.98 113.88 1hug s PHE 84 Ca 0.33 1.04 0.04 0.00 0.12 0.00 0.00 56.93 58.45 1hug s PHE 84 Cb 0.20 -2.42 -0.05 0.00 -0.57 0.00 0.00 43.02 40.18 1hug s PHE 84 CO 0.45 0.02 0.12 -1.13 -0.10 0.00 0.00 175.22 174.58 1hug n SER 85 N -0.84 2.37 -4.63 1.36 3.41 -1.26 -4.38 113.62 109.65 1hug n SER 85 Ca 0.02 -0.26 -0.27 0.00 -0.26 0.00 0.00 58.87 58.11 1hug n SER 85 Cb 0.54 1.10 -0.10 0.00 -0.26 0.00 0.00 64.21 65.49 1hug n SER 85 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1hug s ASP 86 N -1.97 3.99 0.06 4.04 1.47 -1.26 -5.04 116.67 117.96 1hug s ASP 86 Ca -0.00 -1.23 -0.10 0.00 1.18 0.00 0.00 52.55 52.39 1hug s ASP 86 Cb 0.03 -0.42 -0.06 0.00 -0.34 0.00 0.00 42.92 42.13 1hug s ASP 86 CO 0.16 -0.39 0.38 -0.94 0.68 0.00 0.00 175.17 175.06 1hug s SER 87 N -3.73 6.64 -0.14 2.11 1.04 -1.26 -4.75 113.70 113.62 1hug s SER 87 Ca 0.36 0.78 -0.02 0.00 0.48 0.00 0.00 55.95 57.55 1hug s SER 87 Cb 0.06 -2.18 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 1hug s SER 87 CO 0.19 0.21 -0.06 -0.31 0.98 0.00 0.00 173.24 174.24 1hug s TYR 88 N -1.34 2.97 -0.20 5.02 1.51 -0.37 -3.91 117.35 121.03 1hug s TYR 88 Ca 0.31 -0.32 -0.26 0.00 -1.01 0.00 0.00 57.07 55.78 1hug s TYR 88 Cb -0.14 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 1hug s TYR 88 CO 0.17 -0.02 0.89 0.50 -1.11 0.00 0.00 175.55 175.98 1hug s ARG 89 N 0.19 4.26 0.18 -0.62 3.52 -0.59 0.28 118.95 126.17 1hug s ARG 89 Ca -0.03 1.10 -0.32 0.00 -0.13 0.00 0.00 55.73 56.35 1hug s ARG 89 Cb -0.14 -3.61 -0.11 0.00 -1.56 0.00 0.00 34.95 29.54 1hug s ARG 89 CO 0.03 -0.45 1.60 -1.17 -0.81 0.00 0.00 175.30 174.51 1hug s LEU 90 N 2.57 4.37 0.00 -0.88 2.96 -0.76 -0.67 118.68 126.27 1hug s LEU 90 Ca 0.39 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.98 1hug s LEU 90 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1hug s LEU 90 CO 0.10 -0.86 0.00 2.22 -1.32 0.00 0.00 176.35 176.49 1hug n PHE 91 N 3.94 0.00 -3.53 5.38 -1.74 -0.44 -4.60 117.46 116.46 1hug n PHE 91 Ca 0.14 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.95 1hug n PHE 91 Cb 0.38 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.35 1hug n PHE 91 CO 0.00 0.00 0.00 -1.14 -0.56 0.00 0.00 176.76 175.06 1hug s GLN 92 N -1.33 0.69 0.07 3.97 0.74 -1.15 -2.18 119.66 120.47 1hug s GLN 92 Ca 0.00 -0.16 0.03 0.00 0.05 0.00 0.00 55.36 55.27 1hug s GLN 92 Cb 0.00 0.32 -0.03 0.00 1.10 0.00 0.00 33.01 34.40 1hug s GLN 92 CO 0.00 -0.28 -0.09 -0.59 -0.55 0.00 0.00 175.29 173.78 1hug s PHE 93 N -2.53 0.87 0.26 1.67 -0.12 -0.34 -0.88 117.98 116.92 1hug s PHE 93 Ca 0.04 -0.61 -0.21 0.00 -0.05 0.00 0.00 56.93 56.10 1hug s PHE 93 Cb -0.01 -0.50 0.03 0.00 -0.63 0.00 0.00 43.02 41.91 1hug s PHE 93 CO -0.06 -0.06 0.77 -3.38 -0.05 0.00 0.00 175.22 172.44 1hug s HIS 94 N -2.02 -0.16 0.25 3.49 -3.43 -0.27 -1.77 115.29 111.36 1hug s HIS 94 Ca -0.01 -0.28 0.10 0.00 -0.80 0.00 0.00 55.06 54.07 1hug s HIS 94 Cb -0.06 0.70 -0.05 0.00 -1.43 0.00 0.00 32.58 31.75 1hug s HIS 94 CO -0.00 -1.18 -0.18 -0.06 -2.00 0.00 0.00 174.74 171.31 1hug s PHE 95 N -3.73 2.06 -0.02 0.38 0.40 -1.26 -1.40 117.98 114.40 1hug s PHE 95 Ca 0.11 -0.43 0.05 0.00 -0.60 0.00 0.00 56.93 56.07 1hug s PHE 95 Cb -0.05 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.55 1hug s PHE 95 CO 0.06 0.57 -0.17 -1.01 0.70 0.00 0.00 175.22 175.37 1hug s HIS 96 N -2.64 1.58 0.23 0.36 3.76 -0.01 -4.87 115.29 113.69 1hug s HIS 96 Ca 0.26 -0.35 -0.07 0.00 -0.15 0.00 0.00 55.06 54.75 1hug s HIS 96 Cb -0.04 -1.03 -0.02 0.00 1.11 0.00 0.00 32.58 32.60 1hug s HIS 96 CO 0.12 -0.07 0.32 1.67 -0.85 0.00 0.00 174.74 175.92 1hug s TRP 97 N -0.24 0.73 0.48 1.40 -2.14 -1.22 -1.83 118.94 116.11 1hug s TRP 97 Ca 0.03 -1.03 0.02 0.00 2.66 0.00 0.00 56.10 57.78 1hug s TRP 97 Cb -0.08 -0.15 -0.02 0.00 -3.10 0.00 0.00 33.47 30.11 1hug s TRP 97 CO 0.00 -0.83 0.04 0.20 -2.66 0.00 0.00 176.95 173.69 1hug s GLY 98 N -3.08 2.88 0.59 3.67 0.00 -1.25 -1.53 107.32 108.60 1hug s GLY 98 Ca 0.30 -0.73 0.36 0.00 0.00 0.00 0.00 44.72 44.65 1hug s GLY 98 CO 0.10 -2.09 2.17 1.48 0.00 0.00 0.00 173.10 174.76 1hug h SER 99 N 1.50 0.00 -3.46 1.64 4.64 -1.76 -3.43 113.55 112.69 1hug h SER 99 Ca -0.42 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.24 1hug h SER 99 Cb 1.30 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.22 1hug h SER 99 CO 0.70 0.03 -0.77 0.42 -0.87 0.00 0.00 176.83 176.34 1hug s THR 100 N -4.02 3.01 -0.33 2.95 -4.23 -1.26 -5.02 115.64 106.74 1hug s THR 100 Ca -0.02 -1.54 0.27 0.00 -1.18 0.00 0.00 61.69 59.22 1hug s THR 100 Cb 0.12 -2.42 0.30 0.00 1.34 0.00 0.00 72.50 71.83 1hug s THR 100 CO 0.50 0.03 1.79 0.78 -0.54 0.00 0.00 174.62 177.19 1hug h ASN 101 N 3.44 0.00 0.16 3.99 2.35 -1.91 -3.18 115.58 120.43 1hug h ASN 101 Ca -0.49 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 54.91 1hug h ASN 101 Cb 1.18 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 1hug h ASN 101 CO 0.49 0.00 -2.05 -0.62 -1.65 0.00 0.00 177.43 173.61 1hug n GLU 102 N -2.51 0.72 -3.95 0.81 4.71 -1.26 -4.53 120.64 114.62 1hug n GLU 102 Ca 0.02 0.24 -0.31 0.00 -0.01 0.00 0.00 57.16 57.10 1hug n GLU 102 Cb 0.27 -1.69 -0.15 0.00 -1.01 0.00 0.00 31.44 28.87 1hug n GLU 102 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1hug s HIS 103 N -2.56 2.89 0.00 -0.32 3.76 -1.20 -3.50 115.29 114.36 1hug s HIS 103 Ca -0.21 -2.28 0.00 0.00 -0.15 0.00 0.00 55.06 52.42 1hug s HIS 103 Cb 0.07 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.64 1hug s HIS 103 CO 0.75 -0.87 0.09 0.41 -0.85 0.00 0.00 174.74 174.27 1hug n GLY 104 N 4.52 0.29 3.87 -2.22 0.00 0.15 -4.13 105.19 107.67 1hug n GLY 104 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1hug n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hug s SER 105 N 0.00 2.99 -0.17 1.61 1.04 -0.65 -3.44 113.70 115.08 1hug s SER 105 Ca 0.00 0.42 -0.14 0.00 0.48 0.00 0.00 55.95 56.71 1hug s SER 105 Cb 0.00 -0.58 -0.06 0.00 0.10 0.00 0.00 66.02 65.49 1hug s SER 105 CO 0.00 -2.82 -0.24 -0.62 0.98 0.00 0.00 173.24 170.53 1hug n GLU 106 N -3.86 0.50 -2.57 4.02 1.02 -1.26 -4.78 120.64 113.71 1hug n GLU 106 Ca 0.14 0.38 -0.34 0.00 -0.02 0.00 0.00 57.16 57.31 1hug n GLU 106 Cb 0.60 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 1hug n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1hug s HIS 107 N -2.55 3.05 0.13 -0.32 3.76 -1.26 -4.50 115.29 113.60 1hug s HIS 107 Ca -0.23 1.59 0.07 0.00 -0.15 0.00 0.00 55.06 56.34 1hug s HIS 107 Cb 0.04 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 1hug s HIS 107 CO 0.34 -0.74 -0.17 0.95 -0.85 0.00 0.00 174.74 174.27 1hug s THR 108 N -1.96 1.53 -0.14 1.30 -4.23 -1.20 -4.54 115.64 106.40 1hug s THR 108 Ca 0.66 -1.70 -0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1hug s THR 108 Cb -0.16 -1.58 0.03 0.00 1.34 0.00 0.00 72.50 72.13 1hug s THR 108 CO 0.20 -0.29 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.21 1hug s VAL 109 N -1.81 1.25 -1.47 2.29 1.01 -0.78 -0.45 120.40 120.43 1hug s VAL 109 Ca 0.09 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1hug s VAL 109 Cb -0.07 -1.27 0.05 0.00 0.00 0.00 0.00 36.38 35.09 1hug s VAL 109 CO 0.04 0.33 0.67 0.47 0.00 0.00 0.00 175.10 176.61 1hug n ASP 110 N 4.86 -1.98 -0.33 3.32 8.00 0.15 -1.04 116.55 129.53 1hug n ASP 110 Ca -0.14 -0.92 -0.04 0.00 0.71 0.00 0.00 54.79 54.40 1hug n ASP 110 Cb 0.49 -3.39 -0.02 0.00 -0.02 0.00 0.00 41.12 38.18 1hug n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hug n GLY 111 N -1.73 0.60 3.61 0.44 0.00 -1.26 -5.00 105.19 101.86 1hug n GLY 111 Ca -0.16 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1hug n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hug s VAL 112 N -1.79 4.92 -0.11 1.61 1.01 -0.20 -5.06 120.40 120.78 1hug s VAL 112 Ca 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 1hug s VAL 112 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1hug s VAL 112 CO 0.00 0.40 0.42 -0.75 0.00 0.00 0.00 175.10 175.17 1hug s LYS 113 N 0.84 4.26 0.72 2.72 2.20 -1.26 -1.87 119.74 127.35 1hug s LYS 113 Ca 0.05 0.36 0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1hug s LYS 113 Cb -0.13 -3.40 0.14 0.00 -1.51 0.00 0.00 37.83 32.93 1hug s LYS 113 CO 0.02 0.26 0.99 0.71 -0.36 0.00 0.00 175.35 176.98 1hug s TYR 114 N 0.31 1.28 0.11 4.03 1.51 -1.26 -4.79 117.35 118.53 1hug s TYR 114 Ca 0.23 -0.44 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 1hug s TYR 114 Cb -0.15 -2.86 -0.15 0.00 -0.11 0.00 0.00 41.96 38.69 1hug s TYR 114 CO 0.09 -1.76 1.26 0.77 -1.11 0.00 0.00 175.55 174.81 1hug h SER 115 N -0.49 0.72 -5.20 2.29 0.02 -1.37 0.46 113.55 109.98 1hug h SER 115 Ca -0.34 -0.56 0.08 0.00 -0.84 0.00 0.00 61.79 60.13 1hug h SER 115 Cb 1.27 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 1hug h SER 115 CO 0.38 1.36 0.41 0.00 -1.14 0.00 0.00 176.83 177.84 1hug s ALA 116 N -3.34 -1.22 -0.16 3.77 0.00 -1.06 -2.93 121.76 116.83 1hug s ALA 116 Ca -0.08 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 1hug s ALA 116 Cb 0.08 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.97 1hug s ALA 116 CO 0.89 -1.03 0.40 -2.00 0.00 0.00 0.00 175.76 174.02 1hug s GLU 117 N -2.53 0.41 -0.14 0.00 2.12 -0.76 -1.51 118.70 116.29 1hug s GLU 117 Ca 0.17 0.68 -0.13 0.00 0.36 0.00 0.00 54.97 56.05 1hug s GLU 117 Cb -0.04 0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 1hug s GLU 117 CO 0.08 -0.12 0.30 -1.17 -0.54 0.00 0.00 175.26 173.81 1hug s LEU 118 N 0.92 4.28 -0.15 2.70 2.96 -0.28 -0.83 118.68 128.28 1hug s LEU 118 Ca -0.06 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1hug s LEU 118 Cb -0.06 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.26 1hug s LEU 118 CO -0.07 0.15 -0.21 -1.00 -1.32 0.00 0.00 176.35 173.90 1hug s HIS 119 N 0.16 2.70 -0.28 5.38 3.76 -0.50 -0.76 115.29 125.76 1hug s HIS 119 Ca 0.17 -1.46 -0.01 0.00 -0.15 0.00 0.00 55.06 53.62 1hug s HIS 119 Cb -0.13 -1.85 0.05 0.00 1.11 0.00 0.00 32.58 31.75 1hug s HIS 119 CO 0.05 -0.69 -0.04 0.08 -0.85 0.00 0.00 174.74 173.30 1hug s VAL 120 N 0.99 2.75 -0.02 -0.90 1.01 -0.67 -1.12 120.40 122.45 1hug s VAL 120 Ca -0.03 -1.39 0.01 0.00 0.00 0.00 0.00 61.98 60.58 1hug s VAL 120 Cb -0.15 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1hug s VAL 120 CO -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 175.10 174.98 1hug s ALA 121 N 1.23 3.19 0.04 5.51 0.00 -0.06 -0.27 121.76 131.40 1hug s ALA 121 Ca -0.05 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 1hug s ALA 121 Cb -0.19 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1hug s ALA 121 CO -0.03 0.62 -0.00 -1.01 0.00 0.00 0.00 175.76 175.34 1hug s HIS 122 N -1.01 0.36 0.13 0.00 3.76 -0.35 -1.33 115.29 116.85 1hug s HIS 122 Ca 0.17 -0.75 0.10 0.00 -0.15 0.00 0.00 55.06 54.43 1hug s HIS 122 Cb -0.11 -0.26 -0.04 0.00 1.11 0.00 0.00 32.58 33.28 1hug s HIS 122 CO 0.08 -0.31 -0.24 1.67 -0.85 0.00 0.00 174.74 175.09 1hug s TRP 123 N -2.74 2.10 -0.95 1.40 1.48 0.15 -1.64 118.94 118.74 1hug s TRP 123 Ca -0.04 -0.40 -0.24 0.00 -1.06 0.00 0.00 56.10 54.36 1hug s TRP 123 Cb -0.01 -1.13 -0.02 0.00 -1.16 0.00 0.00 33.47 31.15 1hug s TRP 123 CO -0.06 0.30 1.81 1.21 -4.06 0.00 0.00 176.95 176.16 1hug s ASN 124 N -2.07 5.52 0.36 -2.66 3.84 0.13 -1.54 114.94 118.52 1hug s ASN 124 Ca 0.12 -0.94 0.26 0.00 0.21 0.00 0.00 52.86 52.50 1hug s ASN 124 Cb -0.10 -2.56 0.70 0.00 -0.55 0.00 0.00 41.25 38.74 1hug s ASN 124 CO 0.06 -2.41 1.73 0.77 -2.79 0.00 0.00 177.10 174.45 1hug h SER 125 N 10.79 0.00 -0.12 -4.21 4.64 -1.82 -2.04 113.55 120.79 1hug h SER 125 Ca 0.13 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 1hug h SER 125 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1hug h SER 125 CO 1.27 0.00 -0.42 0.00 -0.87 0.00 0.00 176.83 176.81 1hug h ALA 126 N 2.21 0.21 0.00 5.18 0.00 -1.86 -3.38 119.26 121.62 1hug h ALA 126 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.21 1hug h ALA 126 Cb 0.79 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1hug h ALA 126 CO 0.00 0.34 -1.68 1.63 0.00 0.00 0.00 179.25 179.54 1hug n LYS 127 N -4.29 0.64 -4.56 0.00 5.02 -1.23 -5.01 118.16 108.73 1hug n LYS 127 Ca -0.07 0.19 -0.27 0.00 -2.02 0.00 0.00 58.31 56.14 1hug n LYS 127 Cb 0.55 -1.75 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 1hug n LYS 127 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1hug s TYR 128 N -2.80 2.47 -0.01 2.13 2.02 -0.77 -5.06 117.35 115.33 1hug s TYR 128 Ca -0.05 -0.58 0.03 0.00 -0.37 0.00 0.00 57.07 56.11 1hug s TYR 128 Cb 0.08 -1.58 -0.25 0.00 -0.40 0.00 0.00 41.96 39.82 1hug s TYR 128 CO 0.82 0.51 0.80 0.66 -1.57 0.00 0.00 175.55 176.77 1hug h SER 129 N 1.89 0.21 -5.04 2.29 4.64 -1.89 -3.42 113.55 112.22 1hug h SER 129 Ca -0.43 -0.33 0.01 0.00 -0.47 0.00 0.00 61.79 60.57 1hug h SER 129 Cb 1.25 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 63.18 1hug h SER 129 CO 0.75 1.28 0.14 -0.94 -0.87 0.00 0.00 176.83 177.20 1hug s SER 130 N -6.65 -0.33 0.31 4.97 1.04 -1.26 -5.03 113.70 106.75 1hug s SER 130 Ca -0.08 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 55.97 1hug s SER 130 Cb 0.08 0.64 0.69 0.00 0.10 0.00 0.00 66.02 67.53 1hug s SER 130 CO 0.83 -1.15 1.84 0.25 0.98 0.00 0.00 173.24 175.99 1hug h LEU 131 N 2.08 0.80 -0.52 2.42 5.85 -1.96 -1.61 115.31 122.37 1hug h LEU 131 Ca -0.26 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.61 1hug h LEU 131 Cb 1.27 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 1hug h LEU 131 CO 0.32 0.39 0.04 0.00 -0.34 0.00 0.00 178.44 178.85 1hug h ALA 132 N 1.58 0.53 0.21 1.25 0.00 -2.00 0.60 119.26 121.43 1hug h ALA 132 Ca 0.50 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 1hug h ALA 132 Cb 0.66 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1hug h ALA 132 CO -0.27 -0.36 -0.10 1.49 0.00 0.00 0.00 179.25 180.01 1hug h GLU 133 N 0.16 -0.27 -0.92 0.00 4.81 -1.73 -3.31 114.58 113.32 1hug h GLU 133 Ca 0.26 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.61 1hug h GLU 133 Cb 0.39 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 1hug h GLU 133 CO -0.40 0.10 0.59 0.00 -0.73 0.00 0.00 179.01 178.57 1hug h ALA 134 N -0.07 1.59 -0.28 2.92 0.00 -1.09 -3.22 119.26 119.11 1hug h ALA 134 Ca -0.03 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1hug h ALA 134 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1hug h ALA 134 CO 0.05 0.23 0.36 0.00 0.00 0.00 0.00 179.25 179.88 1hug h ALA 135 N 1.54 1.89 -0.02 0.00 0.00 0.11 -1.53 119.26 121.26 1hug h ALA 135 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1hug h ALA 135 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1hug h ALA 135 CO -0.18 -0.50 -0.10 -1.13 0.00 0.00 0.00 179.25 177.34 1hug n SER 136 N -3.60 2.03 -4.85 0.00 3.41 -1.22 -4.58 113.62 104.81 1hug n SER 136 Ca 0.04 -1.52 -0.32 0.00 -0.26 0.00 0.00 58.87 56.81 1hug n SER 136 Cb 0.50 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.54 1hug n SER 136 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1hug s LYS 137 N -1.44 4.00 0.37 4.33 -0.14 -0.58 -4.76 119.74 121.52 1hug s LYS 137 Ca 0.16 0.67 0.09 0.00 -1.36 0.00 0.00 55.97 55.53 1hug s LYS 137 Cb 0.12 -2.42 0.82 0.00 -1.68 0.00 0.00 37.83 34.67 1hug s LYS 137 CO 0.25 0.14 1.92 0.00 -0.76 0.00 0.00 175.35 176.90 1hug h ALA 138 N 2.20 1.82 -0.40 5.17 0.00 -1.85 -0.56 119.26 125.65 1hug h ALA 138 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1hug h ALA 138 Cb 1.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1hug h ALA 138 CO 0.65 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1hug n ASP 139 N -4.51 4.15 -0.16 0.00 5.75 -1.26 -4.28 116.55 116.23 1hug n ASP 139 Ca 0.14 -2.70 -0.10 0.00 -0.01 0.00 0.00 54.79 52.12 1hug n ASP 139 Cb 0.37 -0.51 -0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1hug n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1hug h GLY 140 N 2.61 0.90 -4.29 6.12 0.00 -1.12 -3.42 103.07 103.89 1hug h GLY 140 Ca 0.00 -0.66 -0.65 0.00 0.00 0.00 0.00 47.33 46.02 1hug h GLY 140 CO 0.22 0.61 -0.86 1.08 0.00 0.00 0.00 176.54 177.59 1hug s LEU 141 N -9.40 2.20 -0.10 3.11 1.43 -0.54 0.23 118.68 115.61 1hug s LEU 141 Ca -0.12 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1hug s LEU 141 Cb 0.11 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.20 1hug s LEU 141 CO 0.82 0.20 -0.15 0.00 0.23 0.00 0.00 176.35 177.44 1hug s ALA 142 N -0.88 1.63 -0.08 4.21 0.00 -0.65 -0.79 121.76 125.20 1hug s ALA 142 Ca 0.10 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1hug s ALA 142 Cb -0.10 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.27 1hug s ALA 142 CO 0.03 -0.01 -0.13 0.08 0.00 0.00 0.00 175.76 175.73 1hug s VAL 143 N 0.88 1.24 -0.18 0.00 1.01 -0.79 -1.21 120.40 121.35 1hug s VAL 143 Ca -0.09 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 1hug s VAL 143 Cb -0.15 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1hug s VAL 143 CO 0.00 0.38 0.48 -0.63 0.00 0.00 0.00 175.10 175.34 1hug s ILE 144 N 0.84 5.15 -0.16 2.22 1.01 0.63 -1.41 121.20 129.48 1hug s ILE 144 Ca -0.11 0.90 -0.05 0.00 0.00 0.00 0.00 60.65 61.40 1hug s ILE 144 Cb -0.15 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1hug s ILE 144 CO 0.01 0.24 -0.01 -0.83 0.00 0.00 0.00 174.94 174.35 1hug s GLY 145 N 0.97 1.78 -0.11 6.18 0.00 0.00 -1.67 107.32 114.46 1hug s GLY 145 Ca 0.24 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 44.19 1hug s GLY 145 CO 0.09 -0.03 -0.21 0.14 0.00 0.00 0.00 173.10 173.09 1hug s VAL 146 N 0.36 1.92 0.09 1.40 1.01 0.06 -0.91 120.40 124.33 1hug s VAL 146 Ca -0.02 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 1hug s VAL 146 Cb -0.14 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 1hug s VAL 146 CO 0.02 0.53 0.79 -0.76 0.00 0.00 0.00 175.10 175.68 1hug s LEU 147 N 0.62 4.50 -0.13 3.92 1.43 -1.26 -1.12 118.68 126.64 1hug s LEU 147 Ca -0.13 1.55 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 1hug s LEU 147 Cb -0.17 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 1hug s LEU 147 CO 0.03 0.06 -0.15 -0.04 0.23 0.00 0.00 176.35 176.48 1hug s MET 148 N -0.36 3.29 -0.15 1.70 -1.94 -0.57 -0.50 119.30 120.78 1hug s MET 148 Ca 0.39 -0.73 -0.01 0.00 -1.71 0.00 0.00 55.69 53.63 1hug s MET 148 Cb -0.22 -2.58 -0.01 0.00 2.01 0.00 0.00 34.83 34.03 1hug s MET 148 CO 0.25 0.16 -0.12 0.21 -0.01 0.00 0.00 175.02 175.51 1hug s LYS 149 N 0.46 3.37 0.16 2.03 2.20 0.06 -1.73 119.74 126.29 1hug s LYS 149 Ca -0.11 -0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 54.51 1hug s LYS 149 Cb -0.16 -2.71 -0.10 0.00 -1.51 0.00 0.00 37.83 33.35 1hug s LYS 149 CO 0.05 0.11 1.66 0.54 -0.36 0.00 0.00 175.35 177.36 1hug s VAL 150 N 0.62 2.50 0.00 4.02 0.11 -1.26 -2.49 120.40 123.90 1hug s VAL 150 Ca -0.07 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1hug s VAL 150 Cb -0.15 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 1hug s VAL 150 CO 0.03 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 1hug n GLY 151 N 3.93 -0.11 3.78 6.54 0.00 0.84 -4.91 105.19 115.25 1hug n GLY 151 Ca 0.15 0.54 -0.36 0.00 0.00 0.00 0.00 46.02 46.35 1hug n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hug s GLU 152 N 0.00 3.82 0.48 1.61 0.41 -1.26 -4.12 118.70 119.63 1hug s GLU 152 Ca 0.00 1.63 -0.24 0.00 -0.41 0.00 0.00 54.97 55.95 1hug s GLU 152 Cb 0.00 -2.35 -0.07 0.00 -1.78 0.00 0.00 34.13 29.93 1hug s GLU 152 CO 0.00 -0.47 1.36 0.00 -0.49 0.00 0.00 175.26 175.66 1hug s ALA 153 N -1.66 3.06 -0.30 5.21 0.00 -1.26 -2.76 121.76 124.04 1hug s ALA 153 Ca 0.64 1.33 -0.05 0.00 0.00 0.00 0.00 51.96 53.88 1hug s ALA 153 Cb -0.25 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.35 1hug s ALA 153 CO 0.30 -1.15 0.05 1.21 0.00 0.00 0.00 175.76 176.17 1hug s ASN 154 N -0.79 5.00 0.51 0.00 3.84 -1.26 -4.86 114.94 117.38 1hug s ASN 154 Ca 0.64 -0.94 0.34 0.00 0.21 0.00 0.00 52.86 53.12 1hug s ASN 154 Cb -0.40 -1.82 1.54 0.00 -0.55 0.00 0.00 41.25 40.03 1hug s ASN 154 CO 0.50 -0.23 2.01 1.55 -2.79 0.00 0.00 177.10 178.14 1hug h PRO 155 N 8.16 0.00 0.00 0.43 0.13 -1.95 -2.92 132.00 135.85 1hug h PRO 155 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1hug h PRO 155 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1hug h PRO 155 CO 0.59 0.00 -0.04 0.87 -0.23 0.00 0.00 178.00 179.19 1hug h LYS 156 N 0.00 0.00 0.00 0.86 1.57 -1.93 -3.02 116.57 114.05 1hug h LYS 156 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hug h LYS 156 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1hug h LYS 156 CO 0.00 0.04 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.81 1hug h LEU 157 N 0.00 0.00 -0.42 2.94 3.38 -1.92 -3.40 115.31 115.89 1hug h LEU 157 Ca -0.00 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1hug h LEU 157 Cb 0.33 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1hug h LEU 157 CO 0.01 0.01 -0.27 -0.61 0.09 0.00 0.00 178.44 177.66 1hug h GLN 158 N 0.00 -0.19 -0.86 1.13 5.75 -1.72 -0.78 115.11 118.44 1hug h GLN 158 Ca 0.00 0.01 0.16 0.00 -0.15 0.00 0.00 58.65 58.68 1hug h GLN 158 Cb 0.79 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.32 1hug h GLN 158 CO 0.00 -0.13 0.56 0.87 -2.65 0.00 0.00 178.83 177.49 1hug h LYS 159 N -0.20 0.51 -0.13 1.69 1.57 -1.83 0.12 116.57 118.31 1hug h LYS 159 Ca 0.19 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.76 1hug h LYS 159 Cb 0.50 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1hug h LYS 159 CO -0.53 0.34 -0.62 0.28 -0.57 0.00 0.00 179.45 178.35 1hug h VAL 160 N 0.53 1.32 -0.39 0.50 2.07 -1.50 -2.66 116.25 116.12 1hug h VAL 160 Ca 0.44 -1.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 1hug h VAL 160 Cb 0.90 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1hug h VAL 160 CO -0.18 0.58 0.09 -0.07 0.02 0.00 0.00 177.57 178.01 1hug h LEU 161 N 0.32 0.59 -0.85 2.57 3.38 -0.45 -2.77 115.31 118.10 1hug h LEU 161 Ca -0.04 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1hug h LEU 161 Cb 1.25 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1hug h LEU 161 CO 0.13 0.68 0.57 0.44 0.09 0.00 0.00 178.44 180.34 1hug h ASP 162 N 0.48 0.97 -0.11 -0.43 3.32 -0.79 -2.35 116.42 117.53 1hug h ASP 162 Ca 0.12 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1hug h ASP 162 Cb 0.32 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1hug h ASP 162 CO 0.00 0.70 0.10 0.00 -1.72 0.00 0.00 179.24 178.32 1hug h ALA 163 N 1.32 1.84 -0.32 3.45 0.00 -1.19 -3.05 119.26 121.31 1hug h ALA 163 Ca 0.32 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1hug h ALA 163 Cb -0.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1hug h ALA 163 CO -0.07 -0.15 0.22 -0.07 0.00 0.00 0.00 179.25 179.17 1hug h LEU 164 N 0.00 0.25 -1.69 0.00 3.38 -1.29 -2.28 115.31 113.67 1hug h LEU 164 Ca 0.05 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1hug h LEU 164 Cb 0.24 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1hug h LEU 164 CO -0.00 0.17 0.31 1.56 0.09 0.00 0.00 178.44 180.57 1hug h GLN 165 N 0.29 0.37 -0.00 1.13 1.08 -1.68 -2.48 115.11 113.81 1hug h GLN 165 Ca 0.14 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1hug h GLN 165 Cb 0.18 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1hug h GLN 165 CO -0.03 0.24 -0.19 0.00 -0.95 0.00 0.00 178.83 177.90 1hug n ALA 166 N -2.52 2.82 -2.55 3.87 0.00 -0.86 -4.07 120.51 117.21 1hug n ALA 166 Ca 0.06 -0.21 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1hug n ALA 166 Cb 0.26 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.40 1hug n ALA 166 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1hug n ILE 167 N -1.44 1.77 -0.26 0.00 -5.35 -0.94 -4.70 119.36 108.44 1hug n ILE 167 Ca 0.07 -4.06 -0.06 0.00 -0.27 0.00 0.00 62.75 58.44 1hug n ILE 167 Cb 0.33 -0.37 0.08 0.00 -1.74 0.00 0.00 39.64 37.93 1hug n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1hug h LYS 168 N 2.74 1.14 -5.75 6.28 1.63 -1.70 -3.42 116.57 117.48 1hug h LYS 168 Ca 0.12 -0.23 -0.61 0.00 -0.85 0.00 0.00 60.65 59.08 1hug h LYS 168 Cb 1.07 -0.17 -0.11 0.00 -0.60 0.00 0.00 32.23 32.41 1hug h LYS 168 CO 0.68 0.96 -0.57 0.95 -3.45 0.00 0.00 179.45 178.02 1hug s THR 169 N -5.42 2.12 0.21 1.00 -4.23 -1.26 -2.10 115.64 105.96 1hug s THR 169 Ca -0.12 -1.90 -0.32 0.00 -1.18 0.00 0.00 61.69 58.17 1hug s THR 169 Cb 0.15 -2.99 -0.14 0.00 1.34 0.00 0.00 72.50 70.87 1hug s THR 169 CO 0.84 -0.01 1.43 1.17 -0.54 0.00 0.00 174.62 177.51 1hug n LYS 170 N -1.06 1.97 -0.19 3.99 4.81 -0.49 -2.20 118.16 124.99 1hug n LYS 170 Ca -0.04 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1hug n LYS 170 Cb 0.66 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1hug n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hug n GLY 171 N 2.47 1.87 3.78 3.14 0.00 0.11 -4.62 105.19 111.94 1hug n GLY 171 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1hug n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hug s LYS 172 N -0.26 4.32 0.04 1.61 -0.14 -0.93 -4.86 119.74 119.51 1hug s LYS 172 Ca 0.00 1.49 0.01 0.00 -1.36 0.00 0.00 55.97 56.11 1hug s LYS 172 Cb 0.00 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 1hug s LYS 172 CO 0.00 0.00 -0.06 -0.98 -0.76 0.00 0.00 175.35 173.56 1hug s ARG 173 N -2.28 0.51 -0.05 1.68 1.70 -1.26 -1.56 118.95 117.68 1hug s ARG 173 Ca 0.55 -0.84 -0.07 0.00 -0.47 0.00 0.00 55.73 54.89 1hug s ARG 173 Cb -0.22 -0.11 0.02 0.00 -0.57 0.00 0.00 34.95 34.06 1hug s ARG 173 CO 0.28 -0.01 0.19 0.00 -1.08 0.00 0.00 175.30 174.68 1hug s ALA 174 N -1.97 -0.47 0.56 7.88 0.00 -0.02 -4.91 121.76 122.84 1hug s ALA 174 Ca -0.07 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 1hug s ALA 174 Cb -0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1hug s ALA 174 CO -0.02 -0.13 1.31 -2.30 0.00 0.00 0.00 175.76 174.63 1hug n PRO 175 N 2.55 1.56 -3.43 0.00 -0.02 -1.26 -0.47 135.00 133.94 1hug n PRO 175 Ca -0.15 0.58 -0.17 0.00 -2.02 0.00 0.00 63.50 61.74 1hug n PRO 175 Cb 0.58 -2.52 -0.11 0.00 -0.02 0.00 0.00 33.50 31.43 1hug n PRO 175 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1hug s PHE 176 N -1.31 -0.43 0.40 6.00 5.36 -0.65 -4.67 117.98 122.68 1hug s PHE 176 Ca 0.73 0.09 0.04 0.00 -0.96 0.00 0.00 56.93 56.82 1hug s PHE 176 Cb -0.42 -0.37 -0.04 0.00 -0.34 0.00 0.00 43.02 41.85 1hug s PHE 176 CO 0.48 -0.78 0.06 0.95 -1.46 0.00 0.00 175.22 174.48 1hug s THR 177 N 2.37 1.08 -1.17 0.12 -4.23 -1.26 -2.14 115.64 110.41 1hug s THR 177 Ca 0.09 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.39 1hug s THR 177 Cb -0.15 -2.53 -0.00 0.00 1.34 0.00 0.00 72.50 71.16 1hug s THR 177 CO -0.23 0.00 0.75 0.59 -0.54 0.00 0.00 174.62 175.18 1hug n ASN 178 N -1.06 -4.70 -3.77 3.99 3.02 -1.01 -4.96 115.26 106.78 1hug n ASN 178 Ca -0.07 -1.06 -0.14 0.00 -0.03 0.00 0.00 54.58 53.28 1hug n ASN 178 Cb 0.66 -3.12 -0.15 0.00 -0.61 0.00 0.00 39.78 36.57 1hug n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1hug s PHE 179 N -3.52 -0.10 -0.37 3.10 5.36 -0.88 -4.94 117.98 116.62 1hug s PHE 179 Ca 0.44 0.35 -0.06 0.00 -0.96 0.00 0.00 56.93 56.70 1hug s PHE 179 Cb -0.17 -0.10 0.07 0.00 -0.34 0.00 0.00 43.02 42.49 1hug s PHE 179 CO 0.88 -0.12 0.16 0.34 -1.46 0.00 0.00 175.22 175.02 1hug s ASP 180 N 0.91 5.34 0.11 6.13 2.15 -1.26 -4.31 116.67 125.74 1hug s ASP 180 Ca -0.07 -1.48 0.15 0.00 0.43 0.00 0.00 52.55 51.58 1hug s ASP 180 Cb -0.10 -1.87 0.66 0.00 -0.30 0.00 0.00 42.92 41.31 1hug s ASP 180 CO -0.04 -0.43 1.46 -0.81 -0.17 0.00 0.00 175.17 175.18 1hug n PRO 181 N 4.77 0.07 0.26 4.34 -0.04 -1.26 -1.79 135.00 141.35 1hug n PRO 181 Ca -0.10 0.40 0.17 0.00 -0.04 0.00 0.00 63.50 63.94 1hug n PRO 181 Cb 0.43 -1.66 0.73 0.00 -0.04 0.00 0.00 33.50 32.96 1hug n PRO 181 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1hug h SER 182 N 0.00 0.00 0.58 3.54 4.64 -1.96 -1.44 113.55 118.91 1hug h SER 182 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1hug h SER 182 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1hug h SER 182 CO 0.00 0.00 -0.06 0.71 -0.87 0.00 0.00 176.83 176.61 1hug h THR 183 N 0.00 0.23 0.00 2.95 1.35 -1.79 -2.54 112.91 113.12 1hug h THR 183 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1hug h THR 183 Cb 0.39 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1hug h THR 183 CO 0.00 0.06 -0.34 0.18 -0.25 0.00 0.00 175.52 175.16 1hug n LEU 184 N -3.29 0.54 -4.86 3.87 4.77 -0.54 -4.93 117.00 112.57 1hug n LEU 184 Ca -0.01 0.30 -0.31 0.00 -0.03 0.00 0.00 56.01 55.96 1hug n LEU 184 Cb 0.24 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1hug n LEU 184 CO 0.27 -0.03 0.69 -0.76 -1.33 0.00 0.00 177.39 176.23 1hug s LEU 185 N -3.77 3.39 1.11 2.23 1.43 -0.96 -4.98 118.68 117.13 1hug s LEU 185 Ca 0.10 1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 54.51 1hug s LEU 185 Cb 0.15 -4.45 0.25 0.00 0.03 0.00 0.00 46.19 42.18 1hug s LEU 185 CO 0.65 -0.75 1.05 -2.16 0.23 0.00 0.00 176.35 175.37 1hug s PRO 186 N -4.77 -0.45 0.24 1.29 0.04 -1.26 -4.93 135.00 125.16 1hug s PRO 186 Ca 0.56 0.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 1hug s PRO 186 Cb -0.11 -1.62 0.27 0.00 0.04 0.00 0.00 34.50 33.09 1hug s PRO 186 CO 0.46 -3.38 1.64 0.66 0.04 0.00 0.00 177.00 176.41 1hug h SER 187 N -2.37 0.60 -3.17 6.66 4.64 -1.96 -3.42 113.55 114.52 1hug h SER 187 Ca -0.59 -0.24 -0.67 0.00 -0.47 0.00 0.00 61.79 59.83 1hug h SER 187 Cb 1.33 -0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 63.12 1hug h SER 187 CO 0.53 0.88 -0.59 -0.94 -0.87 0.00 0.00 176.83 175.84 1hug s SER 188 N -6.82 5.50 -0.35 4.97 1.04 -1.26 -5.03 113.70 111.75 1hug s SER 188 Ca -0.08 0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.62 1hug s SER 188 Cb 0.13 -1.65 0.56 0.00 0.10 0.00 0.00 66.02 65.16 1hug s SER 188 CO 0.82 0.36 1.62 0.18 0.98 0.00 0.00 173.24 177.20 1hug n LEU 189 N 2.28 5.04 -4.76 2.42 4.77 -1.26 -4.72 117.00 120.77 1hug n LEU 189 Ca -0.19 -3.74 -0.39 0.00 -0.03 0.00 0.00 56.01 51.66 1hug n LEU 189 Cb 0.54 -0.71 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1hug n LEU 189 CO 0.30 1.21 1.04 -1.81 -1.33 0.00 0.00 177.39 176.79 1hug s ASP 190 N -2.13 5.59 0.22 -1.43 1.01 -1.26 -4.66 116.67 114.00 1hug s ASP 190 Ca 0.49 2.87 -0.16 0.00 0.71 0.00 0.00 52.55 56.46 1hug s ASP 190 Cb 0.43 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.73 1hug s ASP 190 CO 0.03 -1.37 0.51 0.72 0.21 0.00 0.00 175.17 175.27 1hug s PHE 191 N -1.24 0.07 0.08 4.23 -0.12 -1.26 -1.64 117.98 118.10 1hug s PHE 191 Ca 0.66 -0.44 0.06 0.00 -0.05 0.00 0.00 56.93 57.16 1hug s PHE 191 Cb -0.43 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 1hug s PHE 191 CO 0.53 -0.96 -0.09 -1.58 -0.05 0.00 0.00 175.22 173.07 1hug s TRP 192 N -3.93 2.77 0.01 3.49 0.51 -0.31 -1.29 118.94 120.18 1hug s TRP 192 Ca 0.14 -0.14 0.00 0.00 -2.12 0.00 0.00 56.10 53.99 1hug s TRP 192 Cb -0.01 -1.47 -0.01 0.00 -0.81 0.00 0.00 33.47 31.17 1hug s TRP 192 CO 0.02 0.41 -0.01 -0.08 -0.51 0.00 0.00 176.95 176.78 1hug s THR 193 N -1.17 0.04 0.07 2.01 -1.32 0.42 -0.20 115.64 115.50 1hug s THR 193 Ca 0.20 -0.33 -0.19 0.00 -1.21 0.00 0.00 61.69 60.16 1hug s THR 193 Cb -0.11 -0.10 0.04 0.00 -1.51 0.00 0.00 72.50 70.82 1hug s THR 193 CO 0.12 -0.18 0.45 -0.72 -2.21 0.00 0.00 174.62 172.08 1hug s TYR 194 N -0.53 -0.30 -0.03 9.09 1.13 -1.01 -1.35 117.35 124.35 1hug s TYR 194 Ca -0.06 0.20 -0.30 0.00 -1.41 0.00 0.00 57.07 55.50 1hug s TYR 194 Cb -0.04 0.28 -0.03 0.00 -1.10 0.00 0.00 41.96 41.08 1hug s TYR 194 CO -0.00 -0.64 1.01 -1.25 -2.51 0.00 0.00 175.55 172.15 1hug s PRO 195 N -2.91 4.50 0.00 -3.49 0.04 -1.26 -1.70 135.00 130.18 1hug s PRO 195 Ca -0.03 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1hug s PRO 195 Cb 0.00 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1hug s PRO 195 CO -0.05 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1hug n GLY 196 N 2.99 4.25 3.37 0.56 0.00 0.24 -4.87 105.19 111.73 1hug n GLY 196 Ca 0.07 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 1hug n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hug s SER 197 N 1.51 1.90 0.58 1.61 1.04 -1.07 -2.05 113.70 117.21 1hug s SER 197 Ca 0.00 -1.65 -0.19 0.00 0.48 0.00 0.00 55.95 54.59 1hug s SER 197 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1hug s SER 197 CO 0.00 -0.95 1.21 -0.76 0.98 0.00 0.00 173.24 173.72 1hug s LEU 198 N -3.43 3.71 -0.03 2.42 1.43 0.01 -4.52 118.68 118.26 1hug s LEU 198 Ca 0.34 2.39 0.19 0.00 -1.03 0.00 0.00 54.13 56.02 1hug s LEU 198 Cb 0.04 -4.55 0.60 0.00 0.03 0.00 0.00 46.19 42.31 1hug s LEU 198 CO 0.20 -1.51 1.50 0.35 0.23 0.00 0.00 176.35 177.12 1hug n THR 199 N -1.44 1.09 -3.48 5.49 -2.24 -1.26 -4.52 114.28 107.91 1hug n THR 199 Ca 0.13 -0.93 -0.12 0.00 -2.27 0.00 0.00 64.05 60.86 1hug n THR 199 Cb 0.49 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 1hug n THR 199 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1hug s HIS 200 N -1.31 -0.45 0.30 4.78 0.00 -1.26 -4.66 115.29 112.70 1hug s HIS 200 Ca 0.45 0.20 -0.26 0.00 -3.00 0.00 0.00 55.06 52.45 1hug s HIS 200 Cb 0.25 0.48 -0.15 0.00 -4.00 0.00 0.00 32.58 29.17 1hug s HIS 200 CO 0.28 -0.82 0.68 -2.30 -1.00 0.00 0.00 174.74 171.58 1hug n PRO 201 N -0.34 0.64 0.00 -0.38 -0.02 -1.26 -1.35 135.00 132.29 1hug n PRO 201 Ca -0.17 0.23 0.09 0.00 -2.02 0.00 0.00 63.50 61.63 1hug n PRO 201 Cb 0.65 -1.44 0.53 0.00 -0.02 0.00 0.00 33.50 33.21 1hug n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1hug n PRO 202 N 0.80 0.69 -2.08 0.52 -0.04 -1.26 -5.00 135.00 128.62 1hug n PRO 202 Ca 0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.39 1hug n PRO 202 Cb 0.32 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 1hug n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hug n LEU 203 N -0.90 -1.73 -4.67 1.53 4.77 -0.46 -4.95 117.00 110.60 1hug n LEU 203 Ca 0.13 0.20 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 1hug n LEU 203 Cb 0.06 -2.85 -0.00 0.00 -2.33 0.00 0.00 43.42 38.30 1hug n LEU 203 CO 0.10 -0.54 0.79 -1.22 -1.33 0.00 0.00 177.39 175.19 1hug n TYR 204 N -3.33 1.91 -2.56 -1.77 4.01 -1.26 -4.38 117.16 109.78 1hug n TYR 204 Ca -0.23 0.58 -0.42 0.00 -0.16 0.00 0.00 57.90 57.67 1hug n TYR 204 Cb 0.68 -2.35 0.01 0.00 -0.31 0.00 0.00 39.34 37.36 1hug n TYR 204 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1hug n GLU 205 N 0.46 4.55 -0.03 -0.72 1.02 -1.26 -0.81 120.64 123.85 1hug n GLU 205 Ca 0.07 -4.13 0.01 0.00 -0.02 0.00 0.00 57.16 53.08 1hug n GLU 205 Cb 0.36 -2.62 0.02 0.00 -0.02 0.00 0.00 31.44 29.19 1hug n GLU 205 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1hug n SER 206 N 1.64 2.13 -4.51 1.62 3.41 -1.19 -4.32 113.62 112.39 1hug n SER 206 Ca 0.42 -1.98 -0.33 0.00 -0.26 0.00 0.00 58.87 56.71 1hug n SER 206 Cb 0.30 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.09 1hug n SER 206 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1hug s VAL 207 N -0.98 3.51 -0.39 -3.33 1.01 -0.87 -1.47 120.40 117.89 1hug s VAL 207 Ca 0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1hug s VAL 207 Cb 0.02 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1hug s VAL 207 CO 0.02 0.56 0.23 -0.89 0.00 0.00 0.00 175.10 175.02 1hug s THR 208 N -0.31 4.55 0.09 3.92 2.01 0.02 0.83 115.64 126.75 1hug s THR 208 Ca 0.04 -0.97 -0.26 0.00 0.31 0.00 0.00 61.69 60.81 1hug s THR 208 Cb -0.13 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 1hug s THR 208 CO 0.02 -0.30 0.82 0.26 -0.69 0.00 0.00 174.62 174.74 1hug s TRP 209 N 1.54 3.79 -0.39 4.92 0.52 -0.69 -1.88 118.94 126.74 1hug s TRP 209 Ca 0.02 1.60 0.03 0.00 0.02 0.00 0.00 56.10 57.77 1hug s TRP 209 Cb -0.20 -2.88 0.11 0.00 -1.15 0.00 0.00 33.47 29.35 1hug s TRP 209 CO 0.06 0.30 0.14 0.42 0.02 0.00 0.00 176.95 177.89 1hug s ILE 210 N -0.26 2.02 -0.23 2.03 -1.09 -0.50 -2.41 121.20 120.76 1hug s ILE 210 Ca 0.40 -2.47 -0.14 0.00 -2.23 0.00 0.00 60.65 56.21 1hug s ILE 210 Cb -0.22 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 1hug s ILE 210 CO 0.26 -0.70 0.33 -0.63 -1.23 0.00 0.00 174.94 172.97 1hug s ILE 211 N 0.64 5.23 0.28 2.92 -1.09 0.71 -0.82 121.20 129.07 1hug s ILE 211 Ca 0.13 0.54 -0.29 0.00 -2.23 0.00 0.00 60.65 58.80 1hug s ILE 211 Cb -0.21 -3.67 -0.09 0.00 -1.58 0.00 0.00 42.46 36.91 1hug s ILE 211 CO -0.08 0.25 1.07 0.00 -1.23 0.00 0.00 174.94 174.95 1hug h LYS 213 N 3.83 0.66 -5.99 0.00 3.64 -1.65 -3.43 116.57 113.64 1hug h LYS 213 Ca -0.46 -0.31 -0.58 0.00 -1.27 0.00 0.00 60.65 58.02 1hug h LYS 213 Cb 1.21 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 1hug h LYS 213 CO 0.67 0.91 -0.11 -1.21 -2.27 0.00 0.00 179.45 177.44 1hug s GLU 214 N -4.37 4.19 0.37 1.90 0.41 -1.26 -5.06 118.70 114.88 1hug s GLU 214 Ca -0.08 0.56 0.05 0.00 -0.41 0.00 0.00 54.97 55.08 1hug s GLU 214 Cb 0.12 -3.32 -0.01 0.00 -1.78 0.00 0.00 34.13 29.15 1hug s GLU 214 CO 0.83 0.45 0.53 -1.54 -0.49 0.00 0.00 175.26 175.04 1hug s SER 215 N -0.36 5.91 0.32 -0.19 1.04 -1.26 -4.54 113.70 114.61 1hug s SER 215 Ca 0.27 -0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.73 1hug s SER 215 Cb -0.17 -1.29 -0.05 0.00 0.10 0.00 0.00 66.02 64.61 1hug s SER 215 CO 0.14 -0.53 0.08 0.27 0.98 0.00 0.00 173.24 174.18 1hug s ILE 216 N -2.29 3.03 0.63 -1.02 -4.36 0.35 -4.89 121.20 112.65 1hug s ILE 216 Ca 0.46 -1.81 -0.00 0.00 -0.26 0.00 0.00 60.65 59.04 1hug s ILE 216 Cb -0.10 -2.90 0.07 0.00 1.25 0.00 0.00 42.46 40.78 1hug s ILE 216 CO 0.33 -0.23 0.88 -0.94 0.24 0.00 0.00 174.94 175.22 1hug s SER 217 N -3.77 4.88 -0.19 4.36 1.04 -1.26 -0.76 113.70 118.00 1hug s SER 217 Ca 0.35 -0.08 -0.30 0.00 0.48 0.00 0.00 55.95 56.40 1hug s SER 217 Cb -0.03 -0.59 0.14 0.00 0.10 0.00 0.00 66.02 65.64 1hug s SER 217 CO 0.21 -1.46 1.06 0.54 0.98 0.00 0.00 173.24 174.57 1hug s VAL 218 N -2.96 0.00 0.35 5.02 0.11 -1.04 -4.54 120.40 117.35 1hug s VAL 218 Ca 0.61 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.73 1hug s VAL 218 Cb -0.09 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1hug s VAL 218 CO 0.41 0.00 0.41 -0.94 -3.33 0.00 0.00 175.10 171.65 1hug s SER 219 N -1.03 5.57 0.25 3.54 1.04 -1.23 -0.11 113.70 121.73 1hug s SER 219 Ca 0.00 -0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 1hug s SER 219 Cb -0.01 -0.99 0.47 0.00 0.10 0.00 0.00 66.02 65.60 1hug s SER 219 CO -0.00 -0.47 1.73 0.28 0.98 0.00 0.00 173.24 175.76 1hug h SER 220 N 1.01 0.30 0.52 7.02 0.02 -1.94 -1.10 113.55 119.37 1hug h SER 220 Ca -0.44 0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.47 1hug h SER 220 Cb 1.26 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 1hug h SER 220 CO 0.54 0.11 -0.64 -0.33 -1.14 0.00 0.00 176.83 175.38 1hug h GLU 221 N 0.46 0.11 -0.34 3.45 4.39 -1.96 0.06 114.58 120.75 1hug h GLU 221 Ca 0.42 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 60.01 1hug h GLU 221 Cb 0.64 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1hug h GLU 221 CO -0.40 0.71 0.10 1.96 -1.16 0.00 0.00 179.01 180.22 1hug h GLN 222 N 0.08 0.54 -0.65 2.33 4.20 -1.63 -2.54 115.11 117.44 1hug h GLN 222 Ca -0.01 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1hug h GLN 222 Cb 1.14 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 1hug h GLN 222 CO 0.09 0.57 0.07 -0.07 -0.67 0.00 0.00 178.83 178.83 1hug h LEU 223 N 0.40 1.06 -1.65 1.46 3.38 -1.16 -2.27 115.31 116.52 1hug h LEU 223 Ca 0.11 -0.27 0.13 0.00 0.09 0.00 0.00 57.88 57.94 1hug h LEU 223 Cb 0.26 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1hug h LEU 223 CO -0.00 1.07 0.44 0.00 0.09 0.00 0.00 178.44 180.04 1hug h ALA 224 N 1.05 2.11 -0.65 1.53 0.00 -0.82 -1.24 119.26 121.24 1hug h ALA 224 Ca 0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1hug h ALA 224 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1hug h ALA 224 CO 0.02 -0.27 0.11 1.96 0.00 0.00 0.00 179.25 181.06 1hug h GLN 225 N 0.37 1.07 -0.24 0.00 4.20 -0.98 -1.05 115.11 118.49 1hug h GLN 225 Ca 0.31 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1hug h GLN 225 Cb 0.72 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1hug h GLN 225 CO -0.09 0.98 0.10 0.74 -0.67 0.00 0.00 178.83 179.90 1hug h PHE 226 N 1.00 0.35 0.00 2.96 0.04 -1.22 -2.65 116.94 117.42 1hug h PHE 226 Ca 0.20 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 1hug h PHE 226 Cb 0.43 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 1hug h PHE 226 CO 0.03 0.36 -0.03 0.00 -0.60 0.00 0.00 178.31 178.08 1hug h ARG 227 N 0.24 0.00 0.00 1.51 3.08 -1.25 -2.24 114.38 115.72 1hug h ARG 227 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1hug h ARG 227 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1hug h ARG 227 CO -0.01 0.03 -0.00 0.77 -1.07 0.00 0.00 179.97 179.69 1hug h SER 228 N 0.00 0.00 -4.12 7.04 0.02 -0.81 -3.30 113.55 112.38 1hug h SER 228 Ca -0.00 -0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1hug h SER 228 Cb 0.22 0.00 0.16 0.00 0.14 0.00 0.00 62.40 62.92 1hug h SER 228 CO 0.00 0.00 0.25 -0.76 -1.14 0.00 0.00 176.83 175.18 1hug s LEU 229 N -4.85 2.48 -0.06 5.07 1.43 -0.84 -4.84 118.68 117.08 1hug s LEU 229 Ca 0.10 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.95 1hug s LEU 229 Cb 0.11 -4.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 1hug s LEU 229 CO 0.61 -2.68 -0.10 -0.76 0.23 0.00 0.00 176.35 173.66 1hug s LEU 230 N -6.29 3.01 0.09 1.79 1.43 -0.89 -0.75 118.68 117.07 1hug s LEU 230 Ca 0.64 -0.09 0.25 0.00 -1.03 0.00 0.00 54.13 53.89 1hug s LEU 230 Cb -0.19 -1.65 0.48 0.00 0.03 0.00 0.00 46.19 44.86 1hug s LEU 230 CO 0.58 0.35 1.42 -1.20 0.23 0.00 0.00 176.35 177.73 1hug n SER 231 N 2.21 0.62 -4.89 2.29 7.64 0.15 -3.55 113.62 118.09 1hug n SER 231 Ca -0.18 0.11 -0.29 0.00 1.01 0.00 0.00 58.87 59.52 1hug n SER 231 Cb 0.53 0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 1hug n SER 231 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1hug s ASN 232 N -3.92 6.39 0.52 6.43 4.22 -1.26 -4.54 114.94 122.79 1hug s ASN 232 Ca 0.08 1.08 -0.18 0.00 -2.14 0.00 0.00 52.86 51.70 1hug s ASN 232 Cb 0.15 -2.31 -0.07 0.00 1.28 0.00 0.00 41.25 40.30 1hug s ASN 232 CO 0.69 -0.52 1.04 0.68 -2.04 0.00 0.00 177.10 176.95 1hug s VAL 233 N -2.60 3.86 0.22 3.54 -7.23 -1.26 -1.40 120.40 115.52 1hug s VAL 233 Ca 0.50 1.04 -0.31 0.00 -1.81 0.00 0.00 61.98 61.40 1hug s VAL 233 Cb -0.10 -3.45 -0.15 0.00 0.56 0.00 0.00 36.38 33.24 1hug s VAL 233 CO 0.39 -0.36 1.21 1.21 -0.31 0.00 0.00 175.10 177.24 1hug n GLU 234 N -1.37 1.50 0.00 4.82 2.13 -1.26 -2.72 120.64 123.73 1hug n GLU 234 Ca 0.09 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1hug n GLU 234 Cb 0.53 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.18 1hug n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hug n GLY 235 N 1.86 2.99 3.97 8.31 0.00 -1.26 -5.05 105.19 116.00 1hug n GLY 235 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1hug n GLY 235 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hug s ASP 236 N -1.21 4.53 0.53 1.61 1.11 -1.10 -5.06 116.67 117.08 1hug s ASP 236 Ca 0.00 -0.08 -0.21 0.00 0.18 0.00 0.00 52.55 52.44 1hug s ASP 236 Cb 0.00 -0.43 -0.05 0.00 1.07 0.00 0.00 42.92 43.50 1hug s ASP 236 CO 0.00 -1.73 1.26 0.54 1.18 0.00 0.00 175.17 176.42 1hug s ASN 237 N -4.64 5.53 0.10 0.27 4.22 -1.26 -4.96 114.94 114.20 1hug s ASN 237 Ca 0.64 2.53 -0.31 0.00 -2.14 0.00 0.00 52.86 53.58 1hug s ASN 237 Cb -0.07 -2.62 -0.07 0.00 1.28 0.00 0.00 41.25 39.77 1hug s ASN 237 CO 0.44 -1.37 1.31 0.00 -2.04 0.00 0.00 177.10 175.44 1hug s ALA 238 N -1.45 3.51 -0.25 3.54 0.00 -1.26 -4.80 121.76 121.06 1hug s ALA 238 Ca 0.71 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 53.66 1hug s ALA 238 Cb -0.34 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.36 1hug s ALA 238 CO 0.40 -0.54 0.07 0.08 0.00 0.00 0.00 175.76 175.77 1hug s VAL 239 N 1.01 0.54 0.54 0.00 1.01 -1.26 -5.06 120.40 117.19 1hug s VAL 239 Ca 0.62 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 1hug s VAL 239 Cb -0.34 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1hug s VAL 239 CO 0.30 -0.44 1.18 -2.84 0.00 0.00 0.00 175.10 173.31 1hug s PRO 240 N 1.82 3.32 -1.36 2.72 0.02 -1.26 -0.68 135.00 139.58 1hug s PRO 240 Ca 0.04 1.77 -0.12 0.00 0.02 0.00 0.00 61.00 62.71 1hug s PRO 240 Cb -0.17 -2.10 0.11 0.00 0.02 0.00 0.00 34.50 32.36 1hug s PRO 240 CO -0.18 -0.91 2.03 -0.12 -0.33 0.00 0.00 177.00 177.49 1hug n MET 241 N -1.16 3.26 -0.25 5.54 1.56 0.07 -4.71 117.12 121.43 1hug n MET 241 Ca 0.11 -3.11 -0.04 0.00 -0.27 0.00 0.00 57.70 54.39 1hug n MET 241 Cb 0.49 -3.10 0.07 0.00 2.15 0.00 0.00 33.22 32.83 1hug n MET 241 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 1hug h GLN 242 N 5.91 0.85 -2.14 2.12 4.15 -1.87 -3.38 115.11 120.75 1hug h GLN 242 Ca 0.47 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.86 1hug h GLN 242 Cb 0.64 -0.19 -0.18 0.00 0.21 0.00 0.00 27.48 27.96 1hug h GLN 242 CO 1.74 0.56 0.35 -3.38 -1.93 0.00 0.00 178.83 176.17 1hug s HIS 243 N -6.13 -0.50 -0.20 3.99 -3.43 -1.26 -2.89 115.29 104.87 1hug s HIS 243 Ca -0.13 0.65 0.15 0.00 -0.80 0.00 0.00 55.06 54.94 1hug s HIS 243 Cb 0.15 0.48 0.36 0.00 -1.43 0.00 0.00 32.58 32.13 1hug s HIS 243 CO 0.77 -0.57 1.26 0.27 -2.00 0.00 0.00 174.74 174.47 1hug n ASN 244 N 0.37 -0.17 -4.76 7.38 0.23 -0.58 -4.81 115.26 112.92 1hug n ASN 244 Ca -0.14 -2.09 -0.33 0.00 -0.53 0.00 0.00 54.58 51.49 1hug n ASN 244 Cb 0.60 0.14 -0.07 0.00 -2.08 0.00 0.00 39.78 38.37 1hug n ASN 244 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1hug s ASN 245 N -1.98 5.52 -0.01 0.53 2.20 -1.23 -4.63 114.94 115.34 1hug s ASN 245 Ca 0.16 0.09 0.00 0.00 -0.94 0.00 0.00 52.86 52.17 1hug s ASN 245 Cb 0.32 -1.54 -0.04 0.00 -2.00 0.00 0.00 41.25 37.99 1hug s ASN 245 CO -0.09 0.26 0.03 -0.60 -2.94 0.00 0.00 177.10 173.77 1hug s ARG 246 N -1.76 2.92 0.73 3.55 3.52 -1.26 -4.98 118.95 121.66 1hug s ARG 246 Ca 0.23 -0.54 -0.15 0.00 -0.13 0.00 0.00 55.73 55.14 1hug s ARG 246 Cb -0.12 -2.76 0.04 0.00 -1.56 0.00 0.00 34.95 30.55 1hug s ARG 246 CO 0.14 0.64 1.19 -2.14 -0.81 0.00 0.00 175.30 174.32 1hug s PRO 247 N -1.54 2.16 0.61 5.12 0.02 -1.26 -4.69 135.00 135.41 1hug s PRO 247 Ca 0.20 1.69 -0.18 0.00 0.02 0.00 0.00 61.00 62.74 1hug s PRO 247 Cb -0.12 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1hug s PRO 247 CO 0.11 -1.81 1.18 0.95 -0.33 0.00 0.00 177.00 177.09 1hug s THR 248 N -2.08 2.78 0.17 0.99 -4.23 -1.26 -4.39 115.64 107.62 1hug s THR 248 Ca 0.73 0.45 0.09 0.00 -1.18 0.00 0.00 61.69 61.78 1hug s THR 248 Cb -0.28 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.41 1hug s THR 248 CO 0.46 -0.14 -0.13 -1.10 -0.54 0.00 0.00 174.62 173.17 1hug s GLN 249 N -3.52 1.96 0.32 3.99 -1.52 -0.03 -4.95 119.66 115.90 1hug s GLN 249 Ca 0.74 -1.28 -0.29 0.00 -1.95 0.00 0.00 55.36 52.59 1hug s GLN 249 Cb -0.27 -2.12 -0.13 0.00 -0.22 0.00 0.00 33.01 30.27 1hug s GLN 249 CO 0.35 0.44 1.30 -2.30 -0.25 0.00 0.00 175.29 174.83 1hug n PRO 250 N 0.20 2.07 -0.29 2.91 -0.02 -1.26 -4.52 135.00 134.08 1hug n PRO 250 Ca -0.12 0.73 -0.05 0.00 -2.02 0.00 0.00 63.50 62.04 1hug n PRO 250 Cb 0.55 -2.31 0.09 0.00 -0.02 0.00 0.00 33.50 31.80 1hug n PRO 250 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1hug h LEU 251 N 2.90 1.08 -1.57 2.45 3.38 -1.92 -3.43 115.31 118.19 1hug h LEU 251 Ca -0.45 -0.15 -0.41 0.00 0.09 0.00 0.00 57.88 56.95 1hug h LEU 251 Cb 1.28 -0.28 0.06 0.00 0.09 0.00 0.00 40.66 41.82 1hug h LEU 251 CO 0.65 0.94 -0.80 0.29 0.09 0.00 0.00 178.44 179.62 1hug n LYS 252 N -4.29 -5.48 -0.11 1.13 5.02 -1.26 -2.58 118.16 110.59 1hug n LYS 252 Ca 0.08 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1hug n LYS 252 Cb 0.17 -5.38 0.00 0.00 -0.02 0.00 0.00 35.03 29.79 1hug n LYS 252 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hug n GLY 253 N -1.55 1.42 3.76 0.72 0.00 -1.26 -4.99 105.19 103.29 1hug n GLY 253 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1hug n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hug s ARG 254 N -0.47 2.61 -0.09 1.61 0.52 -1.06 -5.05 118.95 117.01 1hug s ARG 254 Ca 0.00 1.43 0.02 0.00 -0.52 0.00 0.00 55.73 56.66 1hug s ARG 254 Cb 0.00 -1.92 -0.01 0.00 0.52 0.00 0.00 34.95 33.53 1hug s ARG 254 CO 0.00 -1.41 -0.17 0.99 0.02 0.00 0.00 175.30 174.73 1hug s THR 255 N -2.35 2.74 -0.34 0.02 2.01 -1.26 -5.01 115.64 111.45 1hug s THR 255 Ca 0.67 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 1hug s THR 255 Cb -0.21 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1hug s THR 255 CO 0.44 0.55 0.35 -0.69 -0.69 0.00 0.00 174.62 174.58 1hug s VAL 256 N -0.01 5.18 0.09 3.82 1.01 -1.26 -4.65 120.40 124.57 1hug s VAL 256 Ca -0.05 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1hug s VAL 256 Cb -0.14 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1hug s VAL 256 CO 0.04 -0.09 0.31 -0.13 0.00 0.00 0.00 175.10 175.23 1hug s ARG 257 N 1.99 3.56 -0.04 2.72 0.52 -0.46 -0.25 118.95 127.00 1hug s ARG 257 Ca 0.11 -0.18 0.06 0.00 -0.52 0.00 0.00 55.73 55.19 1hug s ARG 257 Cb -0.17 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 1hug s ARG 257 CO 0.12 0.55 -0.20 0.00 0.02 0.00 0.00 175.30 175.78 1hug s ALA 258 N -1.54 2.41 -2.04 2.13 0.00 -0.50 -0.43 121.76 121.78 1hug s ALA 258 Ca 0.36 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.38 1hug s ALA 258 Cb -0.13 -0.77 0.38 0.00 0.00 0.00 0.00 23.12 22.61 1hug s ALA 258 CO 0.24 0.53 1.28 -1.13 0.00 0.00 0.00 175.76 176.68 1hug n SER 259 N 2.44 1.08 0.00 0.00 3.41 -0.41 -2.05 113.62 118.09 1hug n SER 259 Ca -0.17 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 1hug n SER 259 Cb 0.52 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1hug n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10