#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g72 h ALA 2 N 0.00 1.75 -0.31 2.12 0.00 -2.00 -1.64 119.26 119.18 1g72 h ALA 2 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1g72 h ALA 2 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1g72 h ALA 2 CO 0.00 0.10 0.17 0.22 0.00 0.00 0.00 179.25 179.74 1g72 h ASP 3 N 0.74 0.39 -0.46 0.00 -0.00 -1.99 -0.96 116.42 114.14 1g72 h ASP 3 Ca 0.36 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.03 57.30 1g72 h ASP 3 Cb 0.41 -0.10 -0.02 0.00 -0.00 0.00 0.00 39.33 39.62 1g72 h ASP 3 CO -0.14 0.36 0.28 0.25 -0.00 0.00 0.00 179.24 179.99 1g72 h LEU 4 N 0.38 0.56 -0.93 2.28 5.85 -1.69 -2.18 115.31 119.58 1g72 h LEU 4 Ca 0.11 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1g72 h LEU 4 Cb 0.06 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1g72 h LEU 4 CO -0.02 0.46 0.58 0.44 -0.34 0.00 0.00 178.44 179.56 1g72 h ASP 5 N 0.62 0.88 -0.49 1.25 3.45 -0.98 0.97 116.42 122.12 1g72 h ASP 5 Ca 0.17 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 1g72 h ASP 5 Cb 0.00 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.60 1g72 h ASP 5 CO -0.03 0.52 0.31 0.50 -1.57 0.00 0.00 179.24 178.97 1g72 h LYS 6 N 0.99 0.67 -0.45 3.56 3.64 -0.63 -1.08 116.57 123.26 1g72 h LYS 6 Ca 0.43 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.64 1g72 h LYS 6 Cb 0.31 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1g72 h LYS 6 CO -0.22 0.47 -0.19 1.96 -2.27 0.00 0.00 179.45 179.20 1g72 h GLN 7 N 0.66 0.89 -0.85 1.90 1.08 -0.69 -2.52 115.11 115.59 1g72 h GLN 7 Ca 0.18 -0.35 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1g72 h GLN 7 Cb -0.03 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.32 1g72 h GLN 7 CO -0.04 1.00 0.51 0.28 -0.95 0.00 0.00 178.83 179.64 1g72 h VAL 8 N 0.78 1.23 -0.11 -0.54 2.07 -0.48 -1.83 116.25 117.37 1g72 h VAL 8 Ca 0.11 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1g72 h VAL 8 Cb 0.73 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1g72 h VAL 8 CO 0.06 0.25 0.00 0.59 0.02 0.00 0.00 177.57 178.48 1g72 n ASN 9 N -4.37 0.97 -4.58 0.57 5.03 -0.44 -4.77 115.26 107.67 1g72 n ASN 9 Ca 0.09 -1.66 -0.40 0.00 0.87 0.00 0.00 54.58 53.49 1g72 n ASN 9 Cb 0.06 -0.07 -0.09 0.00 -1.02 0.00 0.00 39.78 38.66 1g72 n ASN 9 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1g72 s THR 10 N -1.85 5.17 0.34 3.41 2.01 -0.69 -5.04 115.64 118.98 1g72 s THR 10 Ca 0.27 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 1g72 s THR 10 Cb 0.14 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.78 1g72 s THR 10 CO 0.21 0.04 1.52 0.00 -0.69 0.00 0.00 174.62 175.70 1g72 n ALA 11 N 5.37 2.35 -0.42 7.40 0.00 -1.26 -2.60 120.51 131.36 1g72 n ALA 11 Ca -0.09 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1g72 n ALA 11 Cb 0.50 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1g72 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g72 n GLY 12 N 1.18 1.48 3.95 0.00 0.00 -1.26 -4.87 105.19 105.67 1g72 n GLY 12 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1g72 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g72 s ALA 13 N -3.17 3.76 -0.42 4.61 0.00 -1.07 -1.54 121.76 123.92 1g72 s ALA 13 Ca 0.00 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1g72 s ALA 13 Cb 0.00 -2.13 0.17 0.00 0.00 0.00 0.00 23.12 21.16 1g72 s ALA 13 CO 0.00 -0.33 0.40 -0.46 0.00 0.00 0.00 175.76 175.37 1g72 s TRP 14 N -2.52 0.49 -1.48 0.00 -0.11 -0.01 -4.92 118.94 110.40 1g72 s TRP 14 Ca 0.47 -1.86 0.25 0.00 1.22 0.00 0.00 56.10 56.19 1g72 s TRP 14 Cb -0.10 -0.66 0.57 0.00 -1.50 0.00 0.00 33.47 31.78 1g72 s TRP 14 CO 0.38 -0.92 1.45 -0.35 -4.62 0.00 0.00 176.95 172.89 1g72 n PRO 15 N 3.06 0.53 -4.26 5.86 -0.04 -1.25 -0.68 135.00 138.22 1g72 n PRO 15 Ca 0.25 -0.33 -0.25 0.00 -0.04 0.00 0.00 63.50 63.13 1g72 n PRO 15 Cb 0.48 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.28 1g72 n PRO 15 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1g72 s ILE 16 N -2.70 0.98 0.33 0.52 1.01 -1.26 -4.17 121.20 115.92 1g72 s ILE 16 Ca 0.19 -0.34 0.13 0.00 0.00 0.00 0.00 60.65 60.63 1g72 s ILE 16 Cb 0.18 -0.95 0.32 0.00 0.01 0.00 0.00 42.46 42.03 1g72 s ILE 16 CO 0.60 0.34 1.69 0.00 0.00 0.00 0.00 174.94 177.56 1g72 h ALA 17 N 7.46 1.91 -0.48 9.38 0.00 -1.90 0.57 119.26 136.20 1g72 h ALA 17 Ca -0.31 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1g72 h ALA 17 Cb 1.16 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1g72 h ALA 17 CO 0.44 -0.47 0.00 0.25 0.00 0.00 0.00 179.25 179.47 1g72 n THR 18 N -4.99 0.91 0.00 0.00 -2.24 -1.26 -4.93 114.28 101.77 1g72 n THR 18 Ca 0.30 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1g72 n THR 18 Cb 0.91 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1g72 n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g72 n GLY 19 N 1.12 1.76 0.00 3.38 0.00 0.19 -0.84 105.19 110.80 1g72 n GLY 19 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1g72 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 20 N -2.00 -0.07 0.36 -0.02 0.00 -1.26 -4.74 105.19 97.46 1g72 n GLY 20 Ca 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 46.02 44.74 1g72 n GLY 20 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1g72 h TYR 21 N 0.00 0.98 0.00 1.61 0.05 -1.92 -1.23 116.97 116.46 1g72 h TYR 21 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1g72 h TYR 21 Cb 0.00 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.41 1g72 h TYR 21 CO 0.00 0.60 0.00 0.66 -1.05 0.00 0.00 178.16 178.37 1g72 n TYR 22 N -4.43 0.01 -3.67 4.88 0.53 -1.26 -0.49 117.16 112.73 1g72 n TYR 22 Ca 0.10 0.00 -0.26 0.00 -1.02 0.00 0.00 57.90 56.72 1g72 n TYR 22 Cb 0.07 -0.51 0.06 0.00 -1.03 0.00 0.00 39.34 37.93 1g72 n TYR 22 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1g72 n SER 23 N -1.51 -5.87 0.02 7.72 7.64 -0.47 -1.42 113.62 119.72 1g72 n SER 23 Ca 0.06 -0.60 0.14 0.00 1.01 0.00 0.00 58.87 59.47 1g72 n SER 23 Cb 0.29 -4.64 0.56 0.00 -1.01 0.00 0.00 64.21 59.41 1g72 n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g72 n GLN 24 N -4.85 0.05 -4.02 1.43 6.02 -1.23 -4.68 117.38 110.09 1g72 n GLN 24 Ca 0.02 0.04 -0.35 0.00 -0.01 0.00 0.00 57.00 56.69 1g72 n GLN 24 Cb 0.55 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 1g72 n GLN 24 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1g72 n HIS 25 N -1.64 -1.53 -4.40 1.08 -0.00 -0.02 -1.57 115.22 107.14 1g72 n HIS 25 Ca 0.07 0.42 -0.23 0.00 -0.00 0.00 0.00 57.72 57.98 1g72 n HIS 25 Cb 0.36 -3.14 -0.08 0.00 -0.00 0.00 0.00 29.99 27.13 1g72 n HIS 25 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1g72 s ASN 26 N -3.89 2.25 -0.12 0.26 6.03 -1.26 -3.20 114.94 115.00 1g72 s ASN 26 Ca 0.27 -1.72 -0.18 0.00 -1.03 0.00 0.00 52.86 50.20 1g72 s ASN 26 Cb -0.13 0.55 0.04 0.00 -3.03 0.00 0.00 41.25 38.69 1g72 s ASN 26 CO 0.94 -1.01 0.45 -0.55 -2.03 0.00 0.00 177.10 174.90 1g72 s SER 27 N -3.50 -0.43 0.00 3.54 0.15 -0.38 -4.94 113.70 108.15 1g72 s SER 27 Ca 0.31 0.70 0.28 0.00 0.70 0.00 0.00 55.95 57.95 1g72 s SER 27 Cb 0.02 0.74 1.09 0.00 -1.71 0.00 0.00 66.02 66.16 1g72 s SER 27 CO 0.21 -0.29 1.80 -0.81 1.20 0.00 0.00 173.24 175.35 1g72 n PRO 28 N 2.21 0.30 -1.71 5.44 -0.04 -1.26 -0.88 135.00 139.05 1g72 n PRO 28 Ca -0.16 -0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.79 1g72 n PRO 28 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1g72 n PRO 28 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1g72 s LEU 29 N -2.77 4.41 -0.08 1.53 1.43 -1.26 -4.55 118.68 117.40 1g72 s LEU 29 Ca 0.20 2.70 0.11 0.00 -1.03 0.00 0.00 54.13 56.12 1g72 s LEU 29 Cb 0.19 -3.55 0.17 0.00 0.03 0.00 0.00 46.19 43.03 1g72 s LEU 29 CO 0.54 -1.02 1.06 0.00 0.23 0.00 0.00 176.35 177.17 1g72 n ALA 30 N 6.43 2.11 -0.16 4.21 0.00 -1.26 -3.45 120.51 128.39 1g72 n ALA 30 Ca 0.18 -1.94 -0.06 0.00 0.00 0.00 0.00 53.44 51.63 1g72 n ALA 30 Cb 0.39 -0.29 0.03 0.00 0.00 0.00 0.00 19.45 19.59 1g72 n ALA 30 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1g72 h GLN 31 N 0.00 0.53 -5.92 0.00 4.15 -1.98 -3.38 115.11 108.51 1g72 h GLN 31 Ca 0.00 -0.03 -0.57 0.00 0.77 0.00 0.00 58.65 58.82 1g72 h GLN 31 Cb 0.93 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.44 1g72 h GLN 31 CO 0.00 0.35 -0.00 0.42 -1.93 0.00 0.00 178.83 177.67 1g72 s ILE 32 N -6.14 5.10 0.31 2.39 1.01 -1.26 -4.98 121.20 117.63 1g72 s ILE 32 Ca -0.13 1.25 0.03 0.00 0.00 0.00 0.00 60.65 61.81 1g72 s ILE 32 Cb 0.13 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1g72 s ILE 32 CO 0.73 0.28 0.34 -0.46 0.00 0.00 0.00 174.94 175.83 1g72 n ASN 33 N 3.74 -0.90 -0.02 3.58 0.23 -1.26 -4.05 115.26 116.58 1g72 n ASN 33 Ca -0.03 -2.86 0.16 0.00 -0.53 0.00 0.00 54.58 51.32 1g72 n ASN 33 Cb 0.51 1.85 0.62 0.00 -2.08 0.00 0.00 39.78 40.68 1g72 n ASN 33 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1g72 h LYS 34 N 0.00 0.15 0.00 -3.83 1.57 -1.82 0.76 116.57 113.39 1g72 h LYS 34 Ca -0.23 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.36 1g72 h LYS 34 Cb 1.08 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 1g72 h LYS 34 CO 0.32 0.10 -0.90 0.77 -0.57 0.00 0.00 179.45 179.16 1g72 h SER 35 N 0.15 0.00 -0.00 0.86 0.02 -1.96 -3.37 113.55 109.24 1g72 h SER 35 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1g72 h SER 35 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1g72 h SER 35 CO -0.04 0.90 -0.07 -0.46 -1.14 0.00 0.00 176.83 176.03 1g72 n ASN 36 N -3.45 0.80 0.02 3.07 0.23 -0.96 -4.70 115.26 110.27 1g72 n ASN 36 Ca -0.00 -0.90 0.21 0.00 -0.53 0.00 0.00 54.58 53.36 1g72 n ASN 36 Cb 0.86 0.44 0.73 0.00 -2.08 0.00 0.00 39.78 39.72 1g72 n ASN 36 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1g72 h VAL 37 N 0.41 0.55 0.00 3.53 3.04 -1.03 0.22 116.25 122.97 1g72 h VAL 37 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1g72 h VAL 37 Cb 0.12 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.08 1g72 h VAL 37 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.57 176.63 1g72 h LYS 38 N 0.00 0.00 -0.02 4.17 2.10 -1.84 -1.51 116.57 119.48 1g72 h LYS 38 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1g72 h LYS 38 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1g72 h LYS 38 CO -0.00 0.00 -0.05 0.09 -2.00 0.00 0.00 179.45 177.49 1g72 n ASN 39 N -2.87 1.89 -4.76 7.07 3.02 0.78 -4.94 115.26 115.46 1g72 n ASN 39 Ca -0.02 -1.57 -0.41 0.00 -0.03 0.00 0.00 54.58 52.55 1g72 n ASN 39 Cb 0.12 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 1g72 n ASN 39 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g72 s VAL 40 N -2.08 2.59 0.11 2.41 1.01 -0.57 -4.75 120.40 119.11 1g72 s VAL 40 Ca 0.33 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 1g72 s VAL 40 Cb 0.20 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1g72 s VAL 40 CO 0.36 0.11 0.01 -1.59 0.00 0.00 0.00 175.10 173.99 1g72 s LYS 41 N -1.08 0.84 0.22 2.72 -2.85 -0.07 -4.95 119.74 114.58 1g72 s LYS 41 Ca 0.55 -1.38 -0.31 0.00 -1.00 0.00 0.00 55.97 53.84 1g72 s LYS 41 Cb -0.42 0.13 -0.10 0.00 -2.06 0.00 0.00 37.83 35.38 1g72 s LYS 41 CO 0.49 -0.18 1.52 0.00 0.10 0.00 0.00 175.35 177.28 1g72 s ALA 42 N -3.92 3.71 -0.24 0.59 0.00 -1.26 -1.50 121.76 119.14 1g72 s ALA 42 Ca 0.18 1.39 -0.18 0.00 0.00 0.00 0.00 51.96 53.35 1g72 s ALA 42 Cb 0.07 -3.60 -0.15 0.00 0.00 0.00 0.00 23.12 19.44 1g72 s ALA 42 CO -0.02 -0.80 -0.06 0.00 0.00 0.00 0.00 175.76 174.88 1g72 n ALA 43 N 2.99 0.97 -3.73 0.00 0.00 0.12 -4.85 120.51 116.01 1g72 n ALA 43 Ca 0.10 -0.77 -0.05 0.00 0.00 0.00 0.00 53.44 52.72 1g72 n ALA 43 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 1g72 n ALA 43 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1g72 s TRP 44 N -2.44 -0.18 0.12 0.00 1.48 -1.19 -5.03 118.94 111.71 1g72 s TRP 44 Ca -0.33 -0.13 -0.02 0.00 -1.06 0.00 0.00 56.10 54.55 1g72 s TRP 44 Cb 0.10 0.64 -0.03 0.00 -1.16 0.00 0.00 33.47 33.01 1g72 s TRP 44 CO 0.53 -0.88 0.08 -1.54 -4.06 0.00 0.00 176.95 171.09 1g72 s SER 45 N -2.88 0.28 -0.18 -2.66 1.04 -1.26 -1.42 113.70 106.61 1g72 s SER 45 Ca 0.11 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.35 1g72 s SER 45 Cb -0.02 0.31 0.08 0.00 0.10 0.00 0.00 66.02 66.49 1g72 s SER 45 CO 0.01 -0.74 0.40 0.12 0.98 0.00 0.00 173.24 174.01 1g72 s PHE 46 N -4.02 -0.71 -0.01 5.02 5.36 0.02 -4.99 117.98 118.65 1g72 s PHE 46 Ca 0.21 1.41 -0.16 0.00 -0.96 0.00 0.00 56.93 57.42 1g72 s PHE 46 Cb 0.07 0.26 -0.06 0.00 -0.34 0.00 0.00 43.02 42.95 1g72 s PHE 46 CO -0.00 -0.44 0.45 0.45 -1.46 0.00 0.00 175.22 174.22 1g72 s SER 47 N 2.34 6.84 0.38 6.13 0.15 -1.26 0.22 113.70 128.50 1g72 s SER 47 Ca -0.03 1.00 0.24 0.00 0.70 0.00 0.00 55.95 57.86 1g72 s SER 47 Cb -0.11 -2.28 0.40 0.00 -1.71 0.00 0.00 66.02 62.32 1g72 s SER 47 CO -0.12 0.26 1.60 0.71 1.20 0.00 0.00 173.24 176.89 1g72 h THR 48 N 3.85 0.00 -0.02 6.45 1.35 -1.66 -3.47 112.91 119.41 1g72 h THR 48 Ca -0.49 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.46 1g72 h THR 48 Cb 1.21 1.87 -0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1g72 h THR 48 CO 0.64 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.52 1g72 n GLY 49 N 1.15 0.47 3.20 5.82 0.00 -1.26 -5.02 105.19 109.54 1g72 n GLY 49 Ca 0.04 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 1g72 n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g72 s VAL 50 N -1.99 1.28 0.00 1.61 1.01 -1.26 -5.14 120.40 115.92 1g72 s VAL 50 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1g72 s VAL 50 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1g72 s VAL 50 CO 0.00 -0.12 0.00 0.18 0.00 0.00 0.00 175.10 175.16 1g72 n LEU 51 N 1.37 0.00 -0.56 3.92 4.77 -1.26 -3.86 117.00 121.38 1g72 n LEU 51 Ca -0.20 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.85 1g72 n LEU 51 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1g72 n LEU 51 CO 0.22 -0.05 -0.14 0.59 -1.33 0.00 0.00 177.39 176.68 1g72 n ASN 52 N -0.34 -3.32 -4.71 -1.43 3.02 -1.26 -4.66 115.26 102.56 1g72 n ASN 52 Ca 0.00 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 1g72 n ASN 52 Cb 0.00 -1.74 -0.03 0.00 -0.61 0.00 0.00 39.78 37.40 1g72 n ASN 52 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g72 s GLY 53 N -4.83 1.26 -0.71 7.41 0.00 -1.16 -4.56 107.32 104.73 1g72 s GLY 53 Ca 0.00 1.54 -0.04 0.00 0.00 0.00 0.00 44.72 46.22 1g72 s GLY 53 CO 0.00 2.92 0.55 0.30 0.00 0.00 0.00 173.10 176.88 1g72 s HIS 54 N 1.55 3.55 0.79 1.90 3.76 -0.72 -4.42 115.29 121.70 1g72 s HIS 54 Ca 0.76 -2.73 -0.06 0.00 -0.15 0.00 0.00 55.06 52.88 1g72 s HIS 54 Cb -0.48 -3.27 0.14 0.00 1.11 0.00 0.00 32.58 30.08 1g72 s HIS 54 CO 0.33 -0.83 1.10 -1.21 -0.85 0.00 0.00 174.74 173.28 1g72 s GLU 55 N -0.37 1.43 2.07 1.40 2.02 -1.25 -4.19 118.70 119.81 1g72 s GLU 55 Ca 0.20 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1g72 s GLU 55 Cb -0.16 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1g72 s GLU 55 CO -0.06 -1.72 0.00 0.41 0.02 0.00 0.00 175.26 173.91 1g72 n GLY 56 N -3.13 -0.93 3.40 -1.39 0.00 -1.26 -4.58 105.19 97.30 1g72 n GLY 56 Ca 0.14 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 1g72 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g72 s ALA 57 N -1.36 -1.45 0.94 4.61 0.00 -1.26 -4.07 121.76 119.17 1g72 s ALA 57 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 1g72 s ALA 57 Cb 0.00 0.79 0.16 0.00 0.00 0.00 0.00 23.12 24.07 1g72 s ALA 57 CO 0.00 -0.72 1.09 -1.25 0.00 0.00 0.00 175.76 174.88 1g72 s PRO 58 N -3.61 0.86 0.09 0.00 0.04 -1.26 -4.72 135.00 126.41 1g72 s PRO 58 Ca 0.01 0.82 0.06 0.00 0.04 0.00 0.00 61.00 61.93 1g72 s PRO 58 Cb -0.00 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1g72 s PRO 58 CO -0.11 -2.51 -0.07 -0.51 0.04 0.00 0.00 177.00 173.83 1g72 s LEU 59 N -6.39 3.17 -0.14 -3.56 1.43 -0.77 -4.94 118.68 107.47 1g72 s LEU 59 Ca 0.64 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1g72 s LEU 59 Cb -0.19 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1g72 s LEU 59 CO 0.58 0.18 -0.04 -0.69 0.23 0.00 0.00 176.35 176.61 1g72 s VAL 60 N -1.23 0.89 -0.20 -1.59 1.01 0.14 -0.72 120.40 118.70 1g72 s VAL 60 Ca 0.22 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1g72 s VAL 60 Cb -0.11 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.24 1g72 s VAL 60 CO 0.15 0.16 -0.11 -0.63 0.00 0.00 0.00 175.10 174.67 1g72 s ILE 61 N 1.74 1.67 0.00 2.22 -1.09 -0.33 -0.83 121.20 124.59 1g72 s ILE 61 Ca 0.02 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 1g72 s ILE 61 Cb -0.14 -1.73 0.00 0.00 -1.58 0.00 0.00 42.46 39.01 1g72 s ILE 61 CO -0.07 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 1g72 n GLY 62 N 4.68 3.53 0.83 6.18 0.00 -1.26 -1.20 105.19 117.95 1g72 n GLY 62 Ca -0.15 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1g72 n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g72 n ASP 63 N 6.16 2.49 -4.77 1.61 10.43 -1.26 -4.93 116.55 126.29 1g72 n ASP 63 Ca 0.00 -1.85 -0.34 0.00 2.57 0.00 0.00 54.79 55.16 1g72 n ASP 63 Cb 0.00 -0.17 -0.08 0.00 1.84 0.00 0.00 41.12 42.71 1g72 n ASP 63 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1g72 s MET 64 N -1.66 3.10 -0.03 -1.24 -1.94 -0.34 -0.01 119.30 117.19 1g72 s MET 64 Ca 0.35 -0.39 0.07 0.00 -1.71 0.00 0.00 55.69 54.00 1g72 s MET 64 Cb 0.20 -2.90 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 1g72 s MET 64 CO 0.28 0.69 -0.24 1.41 -0.01 0.00 0.00 175.02 177.15 1g72 s MET 65 N -1.32 2.07 -0.16 2.03 1.75 0.73 -1.18 119.30 123.22 1g72 s MET 65 Ca 0.18 -0.87 0.02 0.00 -1.25 0.00 0.00 55.69 53.76 1g72 s MET 65 Cb -0.12 -1.95 0.02 0.00 2.84 0.00 0.00 34.83 35.62 1g72 s MET 65 CO 0.08 0.50 -0.21 0.71 -0.65 0.00 0.00 175.02 175.45 1g72 s TYR 66 N -0.50 2.71 -0.06 4.11 2.02 0.10 -1.11 117.35 124.62 1g72 s TYR 66 Ca 0.07 -1.51 0.02 0.00 -0.37 0.00 0.00 57.07 55.28 1g72 s TYR 66 Cb -0.10 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1g72 s TYR 66 CO -0.00 -0.72 -0.11 0.08 -1.57 0.00 0.00 175.55 173.22 1g72 s VAL 67 N 1.10 3.34 0.11 0.71 1.01 0.01 -1.84 120.40 124.84 1g72 s VAL 67 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1g72 s VAL 67 Cb -0.14 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1g72 s VAL 67 CO -0.08 0.59 -0.21 -1.38 0.00 0.00 0.00 175.10 174.02 1g72 s HIS 68 N -0.73 1.81 0.36 5.22 -3.43 -1.26 -0.42 115.29 116.84 1g72 s HIS 68 Ca 0.11 -0.42 0.03 0.00 -0.80 0.00 0.00 55.06 53.98 1g72 s HIS 68 Cb -0.11 -0.98 0.03 0.00 -1.43 0.00 0.00 32.58 30.09 1g72 s HIS 68 CO 0.01 0.23 0.22 -1.13 -2.00 0.00 0.00 174.74 172.07 1g72 n SER 69 N 0.97 2.32 -3.46 7.38 3.41 -0.73 -4.98 113.62 118.54 1g72 n SER 69 Ca -0.19 -2.32 -0.23 0.00 -0.26 0.00 0.00 58.87 55.88 1g72 n SER 69 Cb 0.54 0.02 0.16 0.00 -0.26 0.00 0.00 64.21 64.67 1g72 n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g72 n ALA 70 N -2.17 -1.29 -1.54 7.33 0.00 -1.26 -4.42 120.51 117.16 1g72 n ALA 70 Ca -0.12 -1.33 -0.43 0.00 0.00 0.00 0.00 53.44 51.55 1g72 n ALA 70 Cb 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 1g72 n ALA 70 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1g72 n PHE 71 N -3.49 0.59 0.74 0.00 7.35 -0.44 -0.46 117.46 121.77 1g72 n PHE 71 Ca 0.13 0.67 0.00 0.00 -0.76 0.00 0.00 57.45 57.49 1g72 n PHE 71 Cb 0.45 -2.15 0.00 0.00 0.35 0.00 0.00 39.48 38.13 1g72 n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1g72 n PRO 72 N 0.58 0.74 -3.28 -7.13 -0.04 -1.26 -4.86 135.00 119.75 1g72 n PRO 72 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 1g72 n PRO 72 Cb 0.35 -1.21 0.07 0.00 -0.04 0.00 0.00 33.50 32.67 1g72 n PRO 72 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1g72 n ASN 73 N 0.47 -6.57 -4.81 3.54 4.13 0.39 -4.25 115.26 108.16 1g72 n ASN 73 Ca 0.00 -0.73 -0.34 0.00 1.68 0.00 0.00 54.58 55.18 1g72 n ASN 73 Cb 0.31 -5.09 -0.07 0.00 -1.54 0.00 0.00 39.78 33.39 1g72 n ASN 73 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1g72 s ASN 74 N -3.39 7.04 -0.08 6.41 0.01 -1.26 -4.53 114.94 119.13 1g72 s ASN 74 Ca 0.46 1.61 0.05 0.00 -0.71 0.00 0.00 52.86 54.27 1g72 s ASN 74 Cb -0.07 -2.50 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 1g72 s ASN 74 CO 0.75 -0.19 -0.24 -0.89 -1.51 0.00 0.00 177.10 175.02 1g72 s THR 75 N -1.88 2.12 -0.04 1.60 2.01 -0.19 -1.77 115.64 117.48 1g72 s THR 75 Ca 0.54 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.57 1g72 s THR 75 Cb -0.13 -1.79 -0.00 0.00 0.01 0.00 0.00 72.50 70.59 1g72 s THR 75 CO 0.18 0.56 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.19 1g72 s TYR 76 N 0.08 1.76 -0.16 4.92 1.51 0.44 -1.11 117.35 124.79 1g72 s TYR 76 Ca -0.11 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1g72 s TYR 76 Cb -0.16 -1.18 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1g72 s TYR 76 CO 0.06 -0.16 -0.11 0.00 -1.11 0.00 0.00 175.55 174.23 1g72 s ALA 77 N -0.02 2.64 -0.03 3.71 0.00 -0.18 -0.81 121.76 127.07 1g72 s ALA 77 Ca -0.03 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 50.97 1g72 s ALA 77 Cb -0.11 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 1g72 s ALA 77 CO 0.02 -0.02 -0.18 -0.51 0.00 0.00 0.00 175.76 175.07 1g72 s LEU 78 N 0.80 1.98 -0.24 0.00 1.02 -0.27 -0.29 118.68 121.69 1g72 s LEU 78 Ca -0.04 -0.34 -0.17 0.00 0.02 0.00 0.00 54.13 53.60 1g72 s LEU 78 Cb -0.15 -0.96 -0.03 0.00 0.02 0.00 0.00 46.19 45.07 1g72 s LEU 78 CO 0.01 0.19 0.44 0.21 0.02 0.00 0.00 176.35 177.22 1g72 s ASN 79 N -0.23 6.40 0.26 2.29 3.84 -1.26 -0.19 114.94 126.05 1g72 s ASN 79 Ca 0.02 0.48 0.14 0.00 0.21 0.00 0.00 52.86 53.71 1g72 s ASN 79 Cb -0.09 -2.25 0.75 0.00 -0.55 0.00 0.00 41.25 39.11 1g72 s ASN 79 CO 0.01 -0.18 1.36 0.18 -2.79 0.00 0.00 177.10 175.68 1g72 n LEU 80 N 5.05 0.36 0.26 3.21 4.77 0.98 -0.82 117.00 130.81 1g72 n LEU 80 Ca -0.07 0.61 0.15 0.00 -0.03 0.00 0.00 56.01 56.67 1g72 n LEU 80 Cb 0.50 -0.61 0.57 0.00 -2.33 0.00 0.00 43.42 41.55 1g72 n LEU 80 CO 0.40 -0.73 0.92 0.78 -1.33 0.00 0.00 177.39 177.43 1g72 h ASN 81 N 0.00 0.00 -1.21 -1.43 2.35 -1.93 -3.38 115.58 109.98 1g72 h ASN 81 Ca 0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1g72 h ASN 81 Cb 0.28 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 38.44 1g72 h ASN 81 CO 0.00 0.07 -0.53 -0.62 -1.65 0.00 0.00 177.43 174.69 1g72 s ASP 82 N -5.89 -0.96 0.00 5.81 3.68 0.00 -5.01 116.67 114.30 1g72 s ASP 82 Ca 0.02 -1.41 0.05 0.00 2.13 0.00 0.00 52.55 53.34 1g72 s ASP 82 Cb 0.09 1.60 0.21 0.00 -1.45 0.00 0.00 42.92 43.38 1g72 s ASP 82 CO 0.58 -0.13 1.09 -2.65 0.13 0.00 0.00 175.17 174.19 1g72 n PRO 83 N 3.72 0.02 0.00 4.34 -0.02 -1.22 -2.04 135.00 139.81 1g72 n PRO 83 Ca 0.15 0.36 0.15 0.00 -2.02 0.00 0.00 63.50 62.13 1g72 n PRO 83 Cb 0.54 -1.50 0.72 0.00 -0.02 0.00 0.00 33.50 33.24 1g72 n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g72 n GLY 84 N -0.97 -0.85 3.19 -1.23 0.00 -1.26 -4.78 105.19 99.29 1g72 n GLY 84 Ca 0.02 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1g72 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g72 s LYS 85 N -2.26 2.89 -0.47 1.61 2.36 -0.86 -5.09 119.74 117.91 1g72 s LYS 85 Ca 0.36 -0.82 -0.20 0.00 -2.55 0.00 0.00 55.97 52.75 1g72 s LYS 85 Cb 0.21 -2.20 0.04 0.00 -1.05 0.00 0.00 37.83 34.82 1g72 s LYS 85 CO 0.42 0.15 0.66 0.42 1.55 0.00 0.00 175.35 178.55 1g72 s ILE 86 N 0.40 4.81 0.10 5.43 1.01 -1.26 -4.29 121.20 127.40 1g72 s ILE 86 Ca -0.18 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 1g72 s ILE 86 Cb -0.18 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 1g72 s ILE 86 CO 0.08 -0.72 1.71 0.58 0.00 0.00 0.00 174.94 176.60 1g72 h VAL 87 N 5.88 1.09 -3.07 2.92 2.07 -1.03 -3.46 116.25 120.65 1g72 h VAL 87 Ca -0.26 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1g72 h VAL 87 Cb 1.09 0.94 -0.14 0.00 -1.52 0.00 0.00 31.29 31.66 1g72 h VAL 87 CO 0.93 0.08 0.06 -1.66 0.02 0.00 0.00 177.57 177.00 1g72 s TRP 88 N -5.94 -0.38 -0.05 1.57 1.48 -1.23 -5.02 118.94 109.38 1g72 s TRP 88 Ca -0.13 0.21 -0.13 0.00 -1.06 0.00 0.00 56.10 54.99 1g72 s TRP 88 Cb 0.08 0.39 0.02 0.00 -1.16 0.00 0.00 33.47 32.80 1g72 s TRP 88 CO 0.69 -0.73 0.30 1.14 -4.06 0.00 0.00 176.95 174.29 1g72 s GLN 89 N -3.37 0.56 -0.19 3.25 -2.07 -1.26 -1.01 119.66 115.57 1g72 s GLN 89 Ca -0.00 0.00 0.01 0.00 -1.82 0.00 0.00 55.36 53.55 1g72 s GLN 89 Cb 0.00 0.25 0.03 0.00 -1.09 0.00 0.00 33.01 32.21 1g72 s GLN 89 CO -0.09 -0.13 -0.16 -1.58 -1.32 0.00 0.00 175.29 172.00 1g72 s HIS 90 N -0.85 2.67 -0.41 9.60 2.46 -0.27 -4.98 115.29 123.52 1g72 s HIS 90 Ca -0.09 -1.65 0.02 0.00 0.47 0.00 0.00 55.06 53.81 1g72 s HIS 90 Cb -0.04 -1.81 0.11 0.00 -0.13 0.00 0.00 32.58 30.71 1g72 s HIS 90 CO 0.03 -0.78 0.15 0.15 -2.47 0.00 0.00 174.74 171.82 1g72 s LYS 91 N 1.32 1.75 0.64 2.88 1.02 -1.26 -1.02 119.74 125.06 1g72 s LYS 91 Ca 0.02 -2.06 -0.18 0.00 0.02 0.00 0.00 55.97 53.77 1g72 s LYS 91 Cb -0.14 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1g72 s LYS 91 CO -0.11 -1.02 1.27 -2.14 -0.92 0.00 0.00 175.35 172.44 1g72 s PRO 92 N 0.64 2.65 -0.31 -1.68 0.02 -1.26 -5.01 135.00 130.04 1g72 s PRO 92 Ca 0.12 2.00 -0.06 0.00 0.02 0.00 0.00 61.00 63.08 1g72 s PRO 92 Cb -0.21 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.47 1g72 s PRO 92 CO -0.05 -1.51 0.07 0.15 -0.33 0.00 0.00 177.00 175.33 1g72 s LYS 93 N -3.38 2.78 0.05 5.54 1.02 -1.26 -4.95 119.74 119.54 1g72 s LYS 93 Ca 0.81 -1.06 0.05 0.00 0.02 0.00 0.00 55.97 55.79 1g72 s LYS 93 Cb -0.36 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.56 1g72 s LYS 93 CO 0.38 -0.57 -0.13 -0.65 -0.92 0.00 0.00 175.35 173.46 1g72 s GLN 94 N 1.42 0.84 0.24 1.68 -0.21 -1.26 -5.12 119.66 117.25 1g72 s GLN 94 Ca -0.00 -0.83 -0.30 0.00 0.02 0.00 0.00 55.36 54.24 1g72 s GLN 94 Cb -0.18 -0.83 -0.10 0.00 1.00 0.00 0.00 33.01 32.89 1g72 s GLN 94 CO 0.02 0.20 1.42 0.34 -2.12 0.00 0.00 175.29 175.15 1g72 s ASP 95 N -1.41 6.69 0.60 5.90 3.68 -1.26 -4.89 116.67 125.98 1g72 s ASP 95 Ca -0.01 2.62 0.37 0.00 2.13 0.00 0.00 52.55 57.66 1g72 s ASP 95 Cb -0.09 -2.62 1.93 0.00 -1.45 0.00 0.00 42.92 40.69 1g72 s ASP 95 CO 0.02 -0.68 2.22 0.00 0.13 0.00 0.00 175.17 176.85 1g72 h ALA 96 N 5.18 1.14 0.00 3.66 0.00 -2.04 -2.19 119.26 125.00 1g72 h ALA 96 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1g72 h ALA 96 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1g72 h ALA 96 CO 0.78 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.94 1g72 n SER 97 N -3.32 0.11 0.04 0.00 3.41 -1.26 -2.19 113.62 110.42 1g72 n SER 97 Ca -0.02 0.53 0.01 0.00 -0.26 0.00 0.00 58.87 59.14 1g72 n SER 97 Cb 0.16 -0.56 0.34 0.00 -0.26 0.00 0.00 64.21 63.89 1g72 n SER 97 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1g72 h THR 98 N 0.00 1.18 -0.00 6.66 2.02 -1.78 -2.50 112.91 118.49 1g72 h THR 98 Ca 0.00 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 1g72 h THR 98 Cb 0.18 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1g72 h THR 98 CO 0.00 0.24 -0.28 0.11 0.37 0.00 0.00 175.52 175.96 1g72 h LYS 99 N 0.42 0.01 0.00 6.66 1.57 -1.67 -2.95 116.57 120.60 1g72 h LYS 99 Ca 0.09 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1g72 h LYS 99 Cb 0.30 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1g72 h LYS 99 CO 0.01 0.29 -0.04 0.00 -0.57 0.00 0.00 179.45 179.13 1g72 h ALA 100 N 1.71 1.19 -0.45 3.86 0.00 -1.63 -2.54 119.26 121.41 1g72 h ALA 100 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1g72 h ALA 100 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1g72 h ALA 100 CO 0.04 0.05 0.00 1.33 0.00 0.00 0.00 179.25 180.67 1g72 n VAL 101 N -3.41 1.92 -3.65 0.00 0.24 -1.11 -4.89 118.33 107.43 1g72 n VAL 101 Ca -0.02 -1.41 -0.38 0.00 -2.04 0.00 0.00 64.34 60.49 1g72 n VAL 101 Cb 0.17 0.03 -0.12 0.00 -1.47 0.00 0.00 33.84 32.45 1g72 n VAL 101 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1g72 s MET 102 N -2.11 3.75 0.19 7.34 1.00 -0.96 -4.84 119.30 123.67 1g72 s MET 102 Ca 0.43 -0.44 -0.10 0.00 0.00 0.00 0.00 55.69 55.58 1g72 s MET 102 Cb 0.30 -3.54 0.10 0.00 0.00 0.00 0.00 34.83 31.69 1g72 s MET 102 CO 0.16 -0.23 1.74 0.00 0.00 0.00 0.00 175.02 176.70 1g72 n ASP 105 N 0.21 -0.72 -3.50 0.00 2.03 -1.26 -3.73 116.55 109.58 1g72 n ASP 105 Ca 0.28 0.14 -0.40 0.00 0.52 0.00 0.00 54.79 55.32 1g72 n ASP 105 Cb 0.51 -0.40 -0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1g72 n ASP 105 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1g72 n VAL 106 N -2.17 5.40 -2.26 5.18 0.24 -1.26 -4.93 118.33 118.52 1g72 n VAL 106 Ca -0.01 -4.62 -0.28 0.00 -2.04 0.00 0.00 64.34 57.39 1g72 n VAL 106 Cb 0.06 -1.98 0.02 0.00 -1.47 0.00 0.00 33.84 30.48 1g72 n VAL 106 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1g72 s VAL 107 N -1.72 4.09 -0.12 3.34 -7.23 -1.26 -1.32 120.40 116.18 1g72 s VAL 107 Ca 0.51 0.29 -0.04 0.00 -1.81 0.00 0.00 61.98 60.94 1g72 s VAL 107 Cb 0.19 -3.62 0.06 0.00 0.56 0.00 0.00 36.38 33.56 1g72 s VAL 107 CO -0.10 -0.70 0.17 -0.62 -0.31 0.00 0.00 175.10 173.54 1g72 s ASP 108 N -4.25 0.97 0.00 4.85 3.68 -1.26 -4.64 116.67 116.03 1g72 s ASP 108 Ca 0.53 0.17 0.09 0.00 2.13 0.00 0.00 52.55 55.48 1g72 s ASP 108 Cb -0.11 0.28 0.50 0.00 -1.45 0.00 0.00 42.92 42.15 1g72 s ASP 108 CO 0.48 -0.27 1.33 0.54 0.13 0.00 0.00 175.17 177.38 1g72 n ARG 109 N 5.32 1.11 0.00 4.34 1.74 0.29 -3.90 116.66 125.56 1g72 n ARG 109 Ca -0.05 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 1g72 n ARG 109 Cb 0.50 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1g72 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1g72 n GLY 110 N 0.70 2.55 4.00 -0.13 0.00 -1.26 -4.12 105.19 106.92 1g72 n GLY 110 Ca 0.07 -2.08 -0.19 0.00 0.00 0.00 0.00 46.02 43.83 1g72 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g72 s LEU 111 N 0.00 3.58 0.21 0.99 1.43 -1.26 -4.19 118.68 119.44 1g72 s LEU 111 Ca 0.00 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1g72 s LEU 111 Cb 0.00 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 1g72 s LEU 111 CO 0.00 -0.83 0.00 0.00 0.23 0.00 0.00 176.35 175.75 1g72 s ALA 112 N -2.46 1.65 0.00 4.21 0.00 -0.50 -4.65 121.76 120.02 1g72 s ALA 112 Ca 0.54 -1.72 0.01 0.00 0.00 0.00 0.00 51.96 50.79 1g72 s ALA 112 Cb -0.10 0.55 -0.00 0.00 0.00 0.00 0.00 23.12 23.56 1g72 s ALA 112 CO 0.35 -0.29 -0.02 -0.47 0.00 0.00 0.00 175.76 175.33 1g72 s TYR 113 N -3.52 0.18 -0.28 0.00 6.14 -1.26 0.10 117.35 118.71 1g72 s TYR 113 Ca 0.28 -0.06 -0.26 0.00 0.64 0.00 0.00 57.07 57.66 1g72 s TYR 113 Cb 0.06 -0.11 0.17 0.00 0.42 0.00 0.00 41.96 42.49 1g72 s TYR 113 CO 0.07 -0.01 1.29 0.20 0.64 0.00 0.00 175.55 177.74 1g72 s GLY 114 N -0.14 0.14 -1.47 8.97 0.00 -0.62 -4.83 107.32 109.37 1g72 s GLY 114 Ca -0.00 3.10 -0.08 0.00 0.00 0.00 0.00 44.72 47.73 1g72 s GLY 114 CO -0.00 1.74 0.77 0.00 0.00 0.00 0.00 173.10 175.61 1g72 n ALA 115 N 1.56 -1.62 -1.74 3.20 0.00 -1.26 -1.04 120.51 119.62 1g72 n ALA 115 Ca -0.10 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 1g72 n ALA 115 Cb 0.57 -3.07 -0.05 0.00 0.00 0.00 0.00 19.45 16.89 1g72 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g72 n GLY 116 N -1.68 1.10 3.26 0.00 0.00 -1.26 -4.99 105.19 101.62 1g72 n GLY 116 Ca -0.12 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1g72 n GLY 116 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g72 s GLN 117 N -3.85 1.06 -0.31 1.61 -0.21 -0.20 -1.74 119.66 116.01 1g72 s GLN 117 Ca 0.00 -1.10 -0.15 0.00 0.02 0.00 0.00 55.36 54.12 1g72 s GLN 117 Cb 0.00 -1.26 -0.02 0.00 1.00 0.00 0.00 33.01 32.73 1g72 s GLN 117 CO 0.00 0.29 0.39 0.42 -2.12 0.00 0.00 175.29 174.27 1g72 s ILE 118 N -1.17 5.15 -0.26 1.08 -1.09 0.12 -1.58 121.20 123.44 1g72 s ILE 118 Ca 0.04 0.36 -0.18 0.00 -2.23 0.00 0.00 60.65 58.64 1g72 s ILE 118 Cb -0.10 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1g72 s ILE 118 CO 0.04 0.02 0.54 -0.69 -1.23 0.00 0.00 174.94 173.62 1g72 s VAL 119 N 2.10 5.05 0.01 2.92 1.01 0.12 -1.03 120.40 130.58 1g72 s VAL 119 Ca 0.14 0.94 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1g72 s VAL 119 Cb -0.16 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1g72 s VAL 119 CO 0.11 0.07 -0.05 -0.75 0.00 0.00 0.00 175.10 174.48 1g72 s LYS 120 N 2.36 0.36 0.41 2.72 2.36 0.23 -1.42 119.74 126.77 1g72 s LYS 120 Ca 0.22 -0.38 0.07 0.00 -2.55 0.00 0.00 55.97 53.34 1g72 s LYS 120 Cb -0.16 -0.23 -0.07 0.00 -1.05 0.00 0.00 37.83 36.32 1g72 s LYS 120 CO 0.09 0.05 0.08 -1.59 1.55 0.00 0.00 175.35 175.53 1g72 s LYS 121 N -0.71 2.06 0.12 4.03 0.00 -1.26 0.81 119.74 124.79 1g72 s LYS 121 Ca -0.04 -2.01 0.08 0.00 0.00 0.00 0.00 55.97 54.00 1g72 s LYS 121 Cb -0.05 -1.77 -0.04 0.00 0.00 0.00 0.00 37.83 35.97 1g72 s LYS 121 CO -0.00 -0.08 -0.19 -0.65 0.00 0.00 0.00 175.35 174.43 1g72 s GLN 122 N -3.79 1.15 0.43 1.78 -0.21 0.08 -4.95 119.66 114.15 1g72 s GLN 122 Ca 0.37 -1.24 0.13 0.00 0.02 0.00 0.00 55.36 54.64 1g72 s GLN 122 Cb 0.08 -1.32 0.99 0.00 1.00 0.00 0.00 33.01 33.75 1g72 s GLN 122 CO 0.20 0.29 1.99 0.00 -2.12 0.00 0.00 175.29 175.65 1g72 h ALA 123 N 3.79 1.96 0.00 6.09 0.00 -1.88 -2.01 119.26 127.21 1g72 h ALA 123 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1g72 h ALA 123 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1g72 h ALA 123 CO 0.44 -0.08 0.00 0.27 0.00 0.00 0.00 179.25 179.88 1g72 n ASN 124 N -4.47 0.00 0.00 0.00 6.94 -1.26 -2.15 115.26 114.31 1g72 n ASN 124 Ca 0.09 -1.17 0.00 0.00 -0.02 0.00 0.00 54.58 53.48 1g72 n ASN 124 Cb 0.33 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1g72 n ASN 124 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1g72 n GLY 125 N 0.16 0.44 3.84 4.83 0.00 -0.75 -4.52 105.19 109.18 1g72 n GLY 125 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1g72 n GLY 125 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g72 s HIS 126 N -2.02 3.60 -0.09 1.61 3.76 -1.25 0.35 115.29 121.25 1g72 s HIS 126 Ca 0.00 1.14 0.03 0.00 -0.15 0.00 0.00 55.06 56.08 1g72 s HIS 126 Cb 0.00 -2.43 0.01 0.00 1.11 0.00 0.00 32.58 31.26 1g72 s HIS 126 CO 0.00 0.39 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.92 1g72 s LEU 127 N -2.04 1.89 0.15 0.89 2.96 0.18 -0.74 118.68 121.98 1g72 s LEU 127 Ca 0.40 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 1g72 s LEU 127 Cb -0.15 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1g72 s LEU 127 CO 0.20 0.09 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.43 1g72 s LEU 128 N 0.58 2.49 -0.15 -0.68 1.02 0.24 -1.26 118.68 120.92 1g72 s LEU 128 Ca -0.15 -0.93 0.01 0.00 0.02 0.00 0.00 54.13 53.08 1g72 s LEU 128 Cb -0.17 -0.53 0.02 0.00 0.02 0.00 0.00 46.19 45.53 1g72 s LEU 128 CO 0.05 -0.20 -0.16 0.00 0.02 0.00 0.00 176.35 176.05 1g72 s ALA 129 N -2.73 1.95 -0.03 4.21 0.00 -0.63 -0.60 121.76 123.93 1g72 s ALA 129 Ca 0.15 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1g72 s ALA 129 Cb -0.02 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1g72 s ALA 129 CO 0.03 -0.30 -0.24 -0.51 0.00 0.00 0.00 175.76 174.75 1g72 s LEU 130 N 1.32 2.17 0.05 0.00 1.43 -0.19 -0.24 118.68 123.22 1g72 s LEU 130 Ca 0.02 -0.43 -0.33 0.00 -1.03 0.00 0.00 54.13 52.36 1g72 s LEU 130 Cb -0.13 -1.38 -0.12 0.00 0.03 0.00 0.00 46.19 44.59 1g72 s LEU 130 CO -0.09 0.31 1.81 -0.67 0.23 0.00 0.00 176.35 177.94 1g72 n ASP 131 N 2.51 3.65 0.13 2.29 2.03 0.80 0.11 116.55 128.07 1g72 n ASP 131 Ca -0.16 1.00 0.12 0.00 0.52 0.00 0.00 54.79 56.26 1g72 n ASP 131 Cb 0.51 -1.46 0.63 0.00 -0.72 0.00 0.00 41.12 40.08 1g72 n ASP 131 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1g72 h ALA 132 N 8.37 2.14 0.12 -1.67 0.00 -1.65 0.24 119.26 126.81 1g72 h ALA 132 Ca -0.47 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.11 1g72 h ALA 132 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1g72 h ALA 132 CO 0.93 -0.20 -1.66 0.87 0.00 0.00 0.00 179.25 179.19 1g72 h LYS 133 N 0.08 0.26 0.00 0.00 1.79 -1.89 -3.41 116.57 113.40 1g72 h LYS 133 Ca 0.12 -0.45 -0.02 0.00 -2.18 0.00 0.00 60.65 58.12 1g72 h LYS 133 Cb 0.37 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1g72 h LYS 133 CO -0.01 1.12 -1.45 0.25 -1.08 0.00 0.00 179.45 178.28 1g72 n THR 134 N -3.45 0.06 -0.58 -0.16 -2.24 -1.15 -4.92 114.28 101.83 1g72 n THR 134 Ca -0.20 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1g72 n THR 134 Cb 1.05 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 1g72 n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g72 n GLY 135 N 2.01 0.78 3.77 3.38 0.00 0.83 -4.88 105.19 111.08 1g72 n GLY 135 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1g72 n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g72 s LYS 136 N -0.42 4.19 -0.21 1.61 2.20 -1.26 -4.56 119.74 121.29 1g72 s LYS 136 Ca 0.00 2.45 -0.29 0.00 -0.36 0.00 0.00 55.97 57.77 1g72 s LYS 136 Cb 0.00 -3.02 0.01 0.00 -1.51 0.00 0.00 37.83 33.31 1g72 s LYS 136 CO 0.00 -0.45 1.05 0.42 -0.36 0.00 0.00 175.35 176.02 1g72 s ILE 137 N -0.81 4.66 -0.16 5.43 1.01 -1.26 -0.14 121.20 129.93 1g72 s ILE 137 Ca 0.54 2.00 -0.18 0.00 0.00 0.00 0.00 60.65 63.01 1g72 s ILE 137 Cb -0.44 -4.29 -0.23 0.00 0.01 0.00 0.00 42.46 37.50 1g72 s ILE 137 CO 0.56 -0.16 0.39 0.78 0.00 0.00 0.00 174.94 176.51 1g72 h ASN 138 N 7.47 0.19 -5.06 3.58 2.35 -0.98 -3.48 115.58 119.65 1g72 h ASN 138 Ca -0.21 -0.73 -0.07 0.00 -0.55 0.00 0.00 56.30 54.75 1g72 h ASN 138 Cb 1.07 -0.06 -0.15 0.00 0.05 0.00 0.00 38.32 39.23 1g72 h ASN 138 CO 0.97 1.55 -0.10 -1.66 -1.65 0.00 0.00 177.43 176.54 1g72 s TRP 139 N -2.42 -0.23 -0.14 1.19 1.48 -1.19 -5.01 118.94 112.62 1g72 s TRP 139 Ca -0.24 0.06 -0.06 0.00 -1.06 0.00 0.00 56.10 54.80 1g72 s TRP 139 Cb 0.05 0.23 0.06 0.00 -1.16 0.00 0.00 33.47 32.64 1g72 s TRP 139 CO 0.68 -0.62 0.32 -2.00 -4.06 0.00 0.00 176.95 171.27 1g72 s GLU 140 N -3.06 0.26 0.18 3.25 2.12 -1.26 -1.60 118.70 118.59 1g72 s GLU 140 Ca -0.02 0.72 0.03 0.00 0.36 0.00 0.00 54.97 56.06 1g72 s GLU 140 Cb 0.00 -0.01 -0.05 0.00 0.26 0.00 0.00 34.13 34.34 1g72 s GLU 140 CO -0.07 -0.20 -0.02 0.14 -0.54 0.00 0.00 175.26 174.57 1g72 s VAL 141 N 1.76 0.83 -0.05 3.70 -7.23 -0.39 -4.97 120.40 114.04 1g72 s VAL 141 Ca -0.06 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.97 1g72 s VAL 141 Cb -0.10 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 1g72 s VAL 141 CO -0.10 -0.50 0.35 -1.61 -0.31 0.00 0.00 175.10 172.93 1g72 s GLU 142 N -3.88 3.92 -0.00 4.82 2.02 -1.26 -0.65 118.70 123.67 1g72 s GLU 142 Ca 0.23 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.50 1g72 s GLU 142 Cb 0.05 -3.26 -0.00 0.00 0.10 0.00 0.00 34.13 31.02 1g72 s GLU 142 CO 0.04 0.60 -0.00 0.28 0.02 0.00 0.00 175.26 176.20 1g72 n VAL 143 N 2.24 0.02 -4.25 2.63 0.31 0.15 -4.93 118.33 114.51 1g72 n VAL 143 Ca -0.14 -0.01 -0.17 0.00 -0.01 0.00 0.00 64.34 64.01 1g72 n VAL 143 Cb 0.53 -0.53 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 1g72 n VAL 143 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g72 s ASP 145 N -2.76 4.57 0.59 0.00 2.15 -1.24 -4.37 116.67 115.61 1g72 s ASP 145 Ca 0.13 -1.64 0.29 0.00 0.43 0.00 0.00 52.55 51.75 1g72 s ASP 145 Cb -0.02 -1.58 1.74 0.00 -0.30 0.00 0.00 42.92 42.75 1g72 s ASP 145 CO 0.03 -0.26 2.18 -0.65 -0.17 0.00 0.00 175.17 176.31 1g72 h PRO 146 N 7.73 0.00 0.00 4.34 0.11 -1.62 -1.94 132.00 140.62 1g72 h PRO 146 Ca -0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1g72 h PRO 146 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1g72 h PRO 146 CO 0.48 0.00 -0.03 0.87 -0.21 0.00 0.00 178.00 179.12 1g72 h LYS 147 N 0.00 0.00 -0.38 1.05 1.57 -1.94 0.58 116.57 117.44 1g72 h LYS 147 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1g72 h LYS 147 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1g72 h LYS 147 CO -0.00 0.03 0.00 1.33 -0.57 0.00 0.00 179.45 180.24 1g72 n VAL 148 N -3.49 1.41 -0.57 0.50 0.24 -0.78 -3.90 118.33 111.74 1g72 n VAL 148 Ca -0.02 -1.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.04 1g72 n VAL 148 Cb 0.13 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1g72 n VAL 148 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g72 n GLY 149 N 0.40 0.70 3.69 7.63 0.00 0.19 -3.88 105.19 113.93 1g72 n GLY 149 Ca 0.16 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1g72 n GLY 149 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g72 s SER 150 N -2.08 6.25 0.35 1.61 0.15 -0.91 -4.43 113.70 114.65 1g72 s SER 150 Ca 0.00 0.28 0.05 0.00 0.70 0.00 0.00 55.95 56.98 1g72 s SER 150 Cb 0.00 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 1g72 s SER 150 CO 0.00 0.08 0.19 0.42 1.20 0.00 0.00 173.24 175.13 1g72 s THR 151 N 0.79 0.32 -0.09 6.45 -4.23 -0.95 -1.94 115.64 116.00 1g72 s THR 151 Ca 0.11 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 1g72 s THR 151 Cb -0.13 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1g72 s THR 151 CO 0.03 0.00 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.16 1g72 s LEU 152 N -3.47 1.90 0.00 4.79 1.43 -0.91 -0.22 118.68 122.20 1g72 s LEU 152 Ca 0.32 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1g72 s LEU 152 Cb 0.03 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 45.09 1g72 s LEU 152 CO 0.20 0.11 0.00 0.35 0.23 0.00 0.00 176.35 177.23 1g72 n THR 153 N 3.65 0.00 -1.17 5.49 -2.24 -1.26 -4.01 114.28 114.74 1g72 n THR 153 Ca -0.21 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 1g72 n THR 153 Cb 0.52 -0.15 0.11 0.00 -2.10 0.00 0.00 70.33 68.72 1g72 n THR 153 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g72 s GLN 154 N -1.19 1.90 0.27 -0.78 -2.07 -1.26 -0.54 119.66 115.99 1g72 s GLN 154 Ca 0.00 1.15 -0.29 0.00 -1.82 0.00 0.00 55.36 54.41 1g72 s GLN 154 Cb 0.00 -1.86 -0.09 0.00 -1.09 0.00 0.00 33.01 29.97 1g72 s GLN 154 CO 0.00 -1.89 0.96 0.00 -1.32 0.00 0.00 175.29 173.04 1g72 s ALA 155 N -2.87 3.30 0.81 2.60 0.00 -1.26 -4.67 121.76 119.67 1g72 s ALA 155 Ca 0.62 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 1g72 s ALA 155 Cb -0.18 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 19.80 1g72 s ALA 155 CO 0.57 0.14 1.09 -2.14 0.00 0.00 0.00 175.76 175.42 1g72 s PRO 156 N -1.49 1.96 -0.06 0.00 0.02 -1.26 -4.96 135.00 129.21 1g72 s PRO 156 Ca 0.44 0.96 0.03 0.00 0.02 0.00 0.00 61.00 62.46 1g72 s PRO 156 Cb -0.24 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.41 1g72 s PRO 156 CO 0.31 -1.79 -0.14 0.12 -0.33 0.00 0.00 177.00 175.17 1g72 s PHE 157 N -2.96 1.56 -0.15 6.54 5.36 -0.76 -4.61 117.98 122.96 1g72 s PHE 157 Ca 0.62 -0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 56.02 1g72 s PHE 157 Cb -0.17 -1.12 -0.02 0.00 -0.34 0.00 0.00 43.02 41.38 1g72 s PHE 157 CO 0.56 -0.26 -0.10 0.08 -1.46 0.00 0.00 175.22 174.03 1g72 s VAL 158 N 0.53 3.22 -0.08 3.12 1.01 -1.26 -0.07 120.40 126.87 1g72 s VAL 158 Ca -0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1g72 s VAL 158 Cb -0.15 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.89 1g72 s VAL 158 CO 0.04 0.51 0.17 0.00 0.00 0.00 0.00 175.10 175.81 1g72 s ALA 159 N 0.49 -0.28 0.00 5.51 0.00 -0.84 -4.83 121.76 121.81 1g72 s ALA 159 Ca -0.08 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1g72 s ALA 159 Cb -0.15 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1g72 s ALA 159 CO 0.04 -0.31 0.00 1.63 0.00 0.00 0.00 175.76 177.12 1g72 n LYS 160 N 4.60 0.00 -1.10 0.00 5.02 -1.26 -1.20 118.16 124.22 1g72 n LYS 160 Ca -0.19 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.96 1g72 n LYS 160 Cb 0.51 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.68 1g72 n LYS 160 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1g72 n ASP 161 N 5.67 3.58 -4.29 4.39 9.92 -1.26 0.42 116.55 135.00 1g72 n ASP 161 Ca 0.00 -3.76 -0.27 0.00 -0.53 0.00 0.00 54.79 50.22 1g72 n ASP 161 Cb 0.00 -0.68 -0.14 0.00 -0.64 0.00 0.00 41.12 39.66 1g72 n ASP 161 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1g72 s THR 162 N -3.61 1.85 -0.19 -3.53 2.01 -0.34 -1.02 115.64 110.81 1g72 s THR 162 Ca 0.50 -1.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1g72 s THR 162 Cb 0.43 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1g72 s THR 162 CO 0.02 0.28 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.40 1g72 s VAL 163 N -0.79 2.60 -0.14 3.82 1.01 0.41 -1.99 120.40 125.31 1g72 s VAL 163 Ca 0.09 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1g72 s VAL 163 Cb -0.09 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1g72 s VAL 163 CO 0.02 0.50 0.30 -0.76 0.00 0.00 0.00 175.10 175.16 1g72 s LEU 164 N 1.25 4.28 -0.12 3.92 1.02 0.90 -1.06 118.68 128.85 1g72 s LEU 164 Ca 0.03 0.56 -0.08 0.00 0.02 0.00 0.00 54.13 54.67 1g72 s LEU 164 Cb -0.14 -2.39 0.05 0.00 0.02 0.00 0.00 46.19 43.73 1g72 s LEU 164 CO -0.07 0.14 0.30 -0.32 0.02 0.00 0.00 176.35 176.42 1g72 s MET 165 N 0.22 0.29 -0.02 1.70 1.75 -0.10 -1.83 119.30 121.31 1g72 s MET 165 Ca 0.18 0.57 0.05 0.00 -1.25 0.00 0.00 55.69 55.23 1g72 s MET 165 Cb -0.13 -0.02 -0.01 0.00 2.84 0.00 0.00 34.83 37.51 1g72 s MET 165 CO 0.05 -0.13 -0.16 0.20 -0.65 0.00 0.00 175.02 174.33 1g72 s GLY 166 N 1.01 0.82 0.58 2.11 0.00 -1.26 -0.33 107.32 110.25 1g72 s GLY 166 Ca -0.07 -0.69 -0.14 0.00 0.00 0.00 0.00 44.72 43.83 1g72 s GLY 166 CO -0.07 -0.50 1.02 0.00 0.00 0.00 0.00 173.10 173.54 1g72 s SER 168 N -3.57 5.23 0.00 0.00 0.01 0.69 -4.01 113.70 112.05 1g72 s SER 168 Ca 0.58 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.37 1g72 s SER 168 Cb -0.11 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1g72 s SER 168 CO 0.43 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1g72 n GLY 169 N -1.24 0.16 0.28 3.44 0.00 -1.26 -2.25 105.19 104.31 1g72 n GLY 169 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1g72 n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g72 h ALA 170 N 0.00 2.04 0.00 4.61 0.00 -1.90 0.29 119.26 124.30 1g72 h ALA 170 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g72 h ALA 170 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1g72 h ALA 170 CO 0.00 -0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1g72 n GLU 171 N -4.48 0.14 -0.09 0.00 4.71 -1.26 -1.43 120.64 118.22 1g72 n GLU 171 Ca -0.01 0.19 0.10 0.00 -0.01 0.00 0.00 57.16 57.42 1g72 n GLU 171 Cb 0.15 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.22 1g72 n GLU 171 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1g72 n LEU 172 N -1.35 2.26 -0.58 -4.62 4.32 0.94 0.09 117.00 118.06 1g72 n LEU 172 Ca 0.06 -3.01 -0.08 0.00 -0.02 0.00 0.00 56.01 52.96 1g72 n LEU 172 Cb 0.13 -0.41 -0.03 0.00 -1.62 0.00 0.00 43.42 41.48 1g72 n LEU 172 CO 0.11 0.69 -0.07 0.61 -1.22 0.00 0.00 177.39 177.52 1g72 n GLY 173 N -1.39 0.95 3.70 -0.72 0.00 -0.52 -4.70 105.19 102.52 1g72 n GLY 173 Ca 0.15 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1g72 n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g72 s VAL 174 N -2.24 3.61 -0.34 1.61 1.01 -0.75 -4.26 120.40 119.04 1g72 s VAL 174 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 1g72 s VAL 174 Cb 0.00 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1g72 s VAL 174 CO 0.00 0.04 1.29 -0.60 0.00 0.00 0.00 175.10 175.83 1g72 s ARG 175 N 1.70 3.84 0.66 2.72 3.52 -1.26 -2.98 118.95 127.16 1g72 s ARG 175 Ca 0.63 1.10 -0.16 0.00 -0.13 0.00 0.00 55.73 57.17 1g72 s ARG 175 Cb -0.33 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.16 1g72 s ARG 175 CO 0.28 -1.21 1.19 0.20 -0.81 0.00 0.00 175.30 174.95 1g72 s GLY 176 N 2.87 2.46 -0.22 8.12 0.00 0.09 -4.89 107.32 115.76 1g72 s GLY 176 Ca 0.55 0.86 -0.27 0.00 0.00 0.00 0.00 44.72 45.86 1g72 s GLY 176 CO 0.25 1.25 0.97 0.00 0.00 0.00 0.00 173.10 175.57 1g72 s ALA 177 N -1.90 -1.93 -0.22 3.20 0.00 -1.26 -1.22 121.76 118.43 1g72 s ALA 177 Ca 0.74 1.73 -0.14 0.00 0.00 0.00 0.00 51.96 54.29 1g72 s ALA 177 Cb -0.28 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1g72 s ALA 177 CO 0.40 -0.28 0.32 0.54 0.00 0.00 0.00 175.76 176.73 1g72 s VAL 178 N -0.39 5.25 -0.10 0.00 0.11 -0.58 -4.09 120.40 120.60 1g72 s VAL 178 Ca -0.00 0.52 -0.04 0.00 -2.93 0.00 0.00 61.98 59.53 1g72 s VAL 178 Cb -0.03 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 1g72 s VAL 178 CO -0.01 0.27 0.05 0.20 -3.33 0.00 0.00 175.10 172.28 1g72 s ASN 179 N 1.10 5.66 -0.11 3.54 -0.87 0.55 -1.44 114.94 123.37 1g72 s ASN 179 Ca 0.15 0.26 0.02 0.00 -1.57 0.00 0.00 52.86 51.71 1g72 s ASN 179 Cb -0.14 -1.71 -0.01 0.00 -0.02 0.00 0.00 41.25 39.37 1g72 s ASN 179 CO 0.07 0.38 -0.18 0.00 -2.57 0.00 0.00 177.10 174.80 1g72 s ALA 180 N -0.88 2.42 0.11 0.60 0.00 -0.59 -0.92 121.76 122.50 1g72 s ALA 180 Ca 0.13 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1g72 s ALA 180 Cb -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1g72 s ALA 180 CO 0.03 0.28 -0.19 -0.06 0.00 0.00 0.00 175.76 175.82 1g72 s PHE 181 N 0.32 1.68 0.02 0.00 0.40 -0.23 -0.35 117.98 119.82 1g72 s PHE 181 Ca -0.14 -0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 55.44 1g72 s PHE 181 Cb -0.17 -0.90 -0.06 0.00 0.51 0.00 0.00 43.02 42.40 1g72 s PHE 181 CO 0.07 0.21 1.36 0.34 0.70 0.00 0.00 175.22 177.90 1g72 s ASP 182 N -2.11 6.88 0.36 1.36 2.15 0.42 -0.45 116.67 125.28 1g72 s ASP 182 Ca 0.08 2.12 0.06 0.00 0.43 0.00 0.00 52.55 55.24 1g72 s ASP 182 Cb -0.09 -2.57 0.75 0.00 -0.30 0.00 0.00 42.92 40.72 1g72 s ASP 182 CO 0.04 -0.67 1.94 0.25 -0.17 0.00 0.00 175.17 176.56 1g72 h LEU 183 N 7.90 0.67 0.10 -1.34 5.85 -1.39 0.20 115.31 127.29 1g72 h LEU 183 Ca -0.39 0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.05 1g72 h LEU 183 Cb 1.19 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1g72 h LEU 183 CO 0.88 0.41 -1.45 0.11 -0.34 0.00 0.00 178.44 178.06 1g72 h LYS 184 N 0.75 0.21 0.00 1.25 6.56 -1.91 -3.41 116.57 120.02 1g72 h LYS 184 Ca 0.34 -0.36 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1g72 h LYS 184 Cb 0.36 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1g72 h LYS 184 CO -0.12 1.08 -1.30 0.25 -2.06 0.00 0.00 179.45 177.30 1g72 n THR 185 N -3.43 0.00 -0.85 -0.16 -2.24 -1.16 -4.92 114.28 101.52 1g72 n THR 185 Ca -0.14 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1g72 n THR 185 Cb 1.03 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1g72 n THR 185 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g72 n GLY 186 N 2.11 0.60 3.76 3.38 0.00 0.68 -4.88 105.19 110.84 1g72 n GLY 186 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1g72 n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g72 s GLU 187 N -0.15 4.67 -0.10 1.61 2.12 -1.26 -4.63 118.70 120.96 1g72 s GLU 187 Ca 0.00 1.73 -0.30 0.00 0.36 0.00 0.00 54.97 56.76 1g72 s GLU 187 Cb 0.00 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1g72 s GLU 187 CO 0.00 0.26 1.38 -1.17 -0.54 0.00 0.00 175.26 175.19 1g72 s LEU 188 N -1.44 4.24 -0.16 2.70 2.96 -1.26 -0.44 118.68 125.28 1g72 s LEU 188 Ca 0.44 1.90 -0.19 0.00 -0.22 0.00 0.00 54.13 56.06 1g72 s LEU 188 Cb -0.30 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.68 1g72 s LEU 188 CO 0.39 -0.78 0.28 0.11 -1.32 0.00 0.00 176.35 175.02 1g72 h LYS 189 N 8.44 0.00 -3.02 1.98 1.57 -1.03 -3.48 116.57 121.03 1g72 h LYS 189 Ca -0.32 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1g72 h LYS 189 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1g72 h LYS 189 CO 0.95 0.71 0.25 1.67 -0.57 0.00 0.00 179.45 182.46 1g72 s TRP 190 N -2.21 -0.01 -0.08 -1.35 1.48 -1.22 -5.03 118.94 110.51 1g72 s TRP 190 Ca -0.20 -0.56 -0.04 0.00 -1.06 0.00 0.00 56.10 54.24 1g72 s TRP 190 Cb 0.02 0.77 0.04 0.00 -1.16 0.00 0.00 33.47 33.14 1g72 s TRP 190 CO 0.49 -1.41 0.18 0.50 -4.06 0.00 0.00 176.95 172.65 1g72 s ARG 191 N -3.08 0.11 -0.31 3.25 3.52 -1.26 -1.54 118.95 119.64 1g72 s ARG 191 Ca 0.14 0.49 0.01 0.00 -0.13 0.00 0.00 55.73 56.23 1g72 s ARG 191 Cb -0.05 -0.17 0.07 0.00 -1.56 0.00 0.00 34.95 33.23 1g72 s ARG 191 CO 0.09 -0.21 -0.00 0.00 -0.81 0.00 0.00 175.30 174.37 1g72 s ALA 192 N 1.56 2.79 0.68 6.12 0.00 -0.52 -4.86 121.76 127.52 1g72 s ALA 192 Ca -0.06 -2.03 -0.11 0.00 0.00 0.00 0.00 51.96 49.77 1g72 s ALA 192 Cb -0.11 -1.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.12 1g72 s ALA 192 CO -0.07 -1.40 1.05 -0.06 0.00 0.00 0.00 175.76 175.29 1g72 s PHE 193 N 1.11 3.22 -0.60 0.00 0.40 -0.09 -1.53 117.98 120.48 1g72 s PHE 193 Ca -0.01 1.40 0.23 0.00 -0.60 0.00 0.00 56.93 57.95 1g72 s PHE 193 Cb -0.20 -2.85 0.19 0.00 0.51 0.00 0.00 43.02 40.67 1g72 s PHE 193 CO -0.04 -1.12 1.17 0.00 0.70 0.00 0.00 175.22 175.92 1g72 n ALA 194 N -3.04 3.12 -2.14 5.36 0.00 -0.36 -4.29 120.51 119.16 1g72 n ALA 194 Ca 0.07 -0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 1g72 n ALA 194 Cb 0.54 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 1g72 n ALA 194 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g72 s THR 195 N -3.19 0.32 0.00 0.00 -4.23 -1.26 0.05 115.64 107.32 1g72 s THR 195 Ca 0.05 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1g72 s THR 195 Cb 0.14 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 72.18 1g72 s THR 195 CO 0.76 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1g72 n GLY 196 N -0.03 -0.74 3.72 3.99 0.00 -0.22 -4.70 105.19 107.22 1g72 n GLY 196 Ca -0.10 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.43 1g72 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g72 s SER 197 N -4.00 4.13 0.52 1.61 1.04 -1.26 -3.63 113.70 112.11 1g72 s SER 197 Ca 0.00 2.26 0.18 0.00 0.48 0.00 0.00 55.95 58.87 1g72 s SER 197 Cb 0.00 -2.58 1.30 0.00 0.10 0.00 0.00 66.02 64.85 1g72 s SER 197 CO 0.00 -2.30 2.11 0.44 0.98 0.00 0.00 173.24 174.48 1g72 h ASP 198 N -0.54 0.00 -0.18 7.02 3.32 -1.96 -1.64 116.42 122.44 1g72 h ASP 198 Ca -0.47 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1g72 h ASP 198 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1g72 h ASP 198 CO 0.49 0.00 0.03 0.44 -1.72 0.00 0.00 179.24 178.49 1g72 h ASP 199 N 0.00 0.28 0.79 6.45 3.45 -1.95 0.07 116.42 125.51 1g72 h ASP 199 Ca 0.06 -0.25 -0.08 0.00 0.43 0.00 0.00 57.03 57.19 1g72 h ASP 199 Cb 0.24 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1g72 h ASP 199 CO -0.00 0.46 -0.38 0.77 -1.57 0.00 0.00 179.24 178.52 1g72 h SER 200 N 0.09 0.00 1.64 6.45 4.64 -1.76 -2.75 113.55 121.87 1g72 h SER 200 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1g72 h SER 200 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1g72 h SER 200 CO 0.00 0.38 -0.28 0.58 -0.87 0.00 0.00 176.83 176.64 1g72 h VAL 201 N 0.00 0.00 -5.20 0.95 2.07 -1.19 -0.22 116.25 112.66 1g72 h VAL 201 Ca -0.00 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1g72 h VAL 201 Cb 0.87 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1g72 h VAL 201 CO 0.05 0.00 -0.28 0.54 0.02 0.00 0.00 177.57 177.90 1g72 n ARG 202 N -2.86 -1.86 -4.28 1.57 1.74 -0.00 -4.48 116.66 106.50 1g72 n ARG 202 Ca 0.03 1.81 -0.35 0.00 -0.77 0.00 0.00 57.85 58.57 1g72 n ARG 202 Cb 0.52 -5.52 -0.10 0.00 -1.02 0.00 0.00 32.46 26.35 1g72 n ARG 202 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1g72 s LEU 203 N -3.09 3.64 0.80 0.55 1.43 -1.17 -0.94 118.68 119.91 1g72 s LEU 203 Ca 0.14 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 1g72 s LEU 203 Cb -0.04 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.39 1g72 s LEU 203 CO 0.72 0.32 1.09 0.00 0.23 0.00 0.00 176.35 178.71 1g72 s ALA 204 N -0.50 2.15 0.45 4.21 0.00 -0.64 -4.76 121.76 122.66 1g72 s ALA 204 Ca 0.09 -0.01 0.12 0.00 0.00 0.00 0.00 51.96 52.17 1g72 s ALA 204 Cb -0.12 -3.18 1.01 0.00 0.00 0.00 0.00 23.12 20.83 1g72 s ALA 204 CO 0.02 -1.80 2.03 -0.22 0.00 0.00 0.00 175.76 175.79 1g72 h LYS 205 N -1.15 0.15 -0.66 0.00 3.64 -1.99 -2.31 116.57 114.25 1g72 h LYS 205 Ca -0.46 -0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 58.61 1g72 h LYS 205 Cb 1.25 -0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.88 1g72 h LYS 205 CO 0.56 0.20 0.27 -0.40 -2.27 0.00 0.00 179.45 177.81 1g72 n ASP 206 N -4.41 3.69 -4.69 4.20 5.75 -1.26 -5.01 116.55 114.83 1g72 n ASP 206 Ca -0.01 -3.50 -0.49 0.00 -0.01 0.00 0.00 54.79 50.78 1g72 n ASP 206 Cb 0.17 -0.72 -0.05 0.00 -1.03 0.00 0.00 41.12 39.49 1g72 n ASP 206 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1g72 n PHE 207 N -0.81 2.29 -2.38 2.11 7.35 -0.87 -1.70 117.46 123.46 1g72 n PHE 207 Ca 0.43 0.07 -0.19 0.00 -0.76 0.00 0.00 57.45 57.00 1g72 n PHE 207 Cb 1.33 -2.64 -0.01 0.00 0.35 0.00 0.00 39.48 38.51 1g72 n PHE 207 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1g72 n ASN 208 N 6.43 -5.43 0.08 -2.13 3.02 -0.44 -4.86 115.26 111.94 1g72 n ASN 208 Ca 0.23 0.05 0.12 0.00 -0.03 0.00 0.00 54.58 54.95 1g72 n ASN 208 Cb 0.27 -4.54 0.60 0.00 -0.61 0.00 0.00 39.78 35.50 1g72 n ASN 208 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1g72 h SER 209 N 0.00 0.13 1.71 6.41 4.64 -1.57 -1.04 113.55 123.83 1g72 h SER 209 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1g72 h SER 209 Cb 1.33 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1g72 h SER 209 CO 0.53 0.08 -0.06 0.00 -0.87 0.00 0.00 176.83 176.52 1g72 h ALA 210 N 1.83 0.97 -1.66 5.18 0.00 -1.84 -3.38 119.26 120.36 1g72 h ALA 210 Ca 0.15 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.57 1g72 h ALA 210 Cb 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.85 1g72 h ALA 210 CO -0.02 0.00 -1.01 0.09 0.00 0.00 0.00 179.25 178.30 1g72 n ASN 211 N -2.70 -0.25 0.33 0.00 3.02 -0.45 -4.97 115.26 110.24 1g72 n ASN 211 Ca 0.05 -2.85 0.22 0.00 -0.03 0.00 0.00 54.58 51.96 1g72 n ASN 211 Cb 0.49 -0.21 1.16 0.00 -0.61 0.00 0.00 39.78 40.60 1g72 n ASN 211 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1g72 h PRO 212 N 3.84 0.00 0.00 3.52 0.13 -1.61 -1.17 132.00 136.71 1g72 h PRO 212 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1g72 h PRO 212 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1g72 h PRO 212 CO 0.44 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.82 1g72 n HIS 213 N -3.03 0.00 0.22 1.56 1.44 -1.26 -1.61 115.22 112.54 1g72 n HIS 213 Ca -0.03 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.80 1g72 n HIS 213 Cb 0.11 -0.44 0.37 0.00 0.12 0.00 0.00 29.99 30.15 1g72 n HIS 213 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 1g72 h TYR 214 N 0.00 0.00 0.00 -1.40 0.99 -1.55 -3.49 116.97 111.52 1g72 h TYR 214 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1g72 h TYR 214 Cb 0.30 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.03 1g72 h TYR 214 CO 0.00 0.14 0.00 0.41 -0.00 0.00 0.00 178.16 178.71 1g72 n GLY 215 N 0.55 2.55 0.00 3.88 0.00 -0.63 -4.82 105.19 106.71 1g72 n GLY 215 Ca 0.02 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1g72 n GLY 215 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g72 n GLN 216 N 1.10 0.00 -3.85 1.61 6.02 -1.26 -4.87 117.38 116.14 1g72 n GLN 216 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1g72 n GLN 216 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1g72 n GLN 216 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1g72 s PHE 217 N 0.00 3.50 0.00 1.08 0.08 -1.26 -4.49 117.98 116.88 1g72 s PHE 217 Ca 0.00 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.31 1g72 s PHE 217 Cb 0.00 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1g72 s PHE 217 CO 0.00 0.50 0.00 0.41 -0.10 0.00 0.00 175.22 176.03 1g72 n GLY 218 N -0.21 1.00 0.24 4.36 0.00 -1.26 -4.89 105.19 104.43 1g72 n GLY 218 Ca -0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.12 1g72 n GLY 218 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1g72 h LEU 219 N 0.00 0.00 -0.96 0.99 3.38 -1.90 -2.17 115.31 114.65 1g72 h LEU 219 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1g72 h LEU 219 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1g72 h LEU 219 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1g72 n GLY 220 N 0.45 -1.01 0.00 0.83 0.00 -1.25 -2.38 105.19 101.83 1g72 n GLY 220 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1g72 n GLY 220 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1g72 n THR 221 N -2.15 0.00 0.24 2.61 -2.24 -1.21 -1.06 114.28 110.47 1g72 n THR 221 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1g72 n THR 221 Cb 0.12 -0.57 0.60 0.00 -2.10 0.00 0.00 70.33 68.37 1g72 n THR 221 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1g72 h LYS 222 N 0.00 0.00 -0.88 -0.78 3.64 -1.38 -2.55 116.57 114.62 1g72 h LYS 222 Ca 0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1g72 h LYS 222 Cb 0.69 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.37 1g72 h LYS 222 CO 0.00 0.16 0.30 0.25 -2.27 0.00 0.00 179.45 177.88 1g72 n THR 223 N -4.07 2.41 -4.13 1.00 -2.24 -1.00 -4.86 114.28 101.38 1g72 n THR 223 Ca -0.02 -1.27 -0.09 0.00 -2.27 0.00 0.00 64.05 60.40 1g72 n THR 223 Cb 0.24 -0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 67.86 1g72 n THR 223 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1g72 s TRP 224 N -2.39 0.73 -0.27 4.78 0.52 -0.96 -1.34 118.94 120.01 1g72 s TRP 224 Ca 0.42 -0.99 -0.09 0.00 0.02 0.00 0.00 56.10 55.45 1g72 s TRP 224 Cb 0.34 -0.46 -0.04 0.00 -1.15 0.00 0.00 33.47 32.16 1g72 s TRP 224 CO 0.10 -0.26 0.14 -2.00 0.02 0.00 0.00 176.95 174.95 1g72 s GLU 225 N -3.88 3.78 4.53 4.98 2.12 -1.25 -4.97 118.70 124.01 1g72 s GLU 225 Ca 0.10 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1g72 s GLU 225 Cb 0.07 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1g72 s GLU 225 CO -0.07 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 1g72 n GLY 226 N 5.00 1.42 1.33 -1.50 0.00 -1.26 -3.00 105.19 107.18 1g72 n GLY 226 Ca -0.15 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 1g72 n GLY 226 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g72 n ASP 227 N -0.28 3.40 0.31 1.61 10.43 -1.26 -4.42 116.55 126.35 1g72 n ASP 227 Ca 0.00 -2.57 0.18 0.00 2.57 0.00 0.00 54.79 54.97 1g72 n ASP 227 Cb 0.00 -0.62 1.00 0.00 1.84 0.00 0.00 41.12 43.35 1g72 n ASP 227 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1g72 h ALA 228 N 2.57 1.25 0.00 2.24 0.00 -1.92 -1.81 119.26 121.59 1g72 h ALA 228 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1g72 h ALA 228 Cb 1.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1g72 h ALA 228 CO 0.34 0.02 0.00 0.11 0.00 0.00 0.00 179.25 179.73 1g72 h TRP 229 N 0.00 0.00 0.00 0.00 5.08 -1.86 -2.99 115.95 116.18 1g72 h TRP 229 Ca -0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 1g72 h TRP 229 Cb 0.08 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.23 1g72 h TRP 229 CO 0.00 0.00 -0.17 0.87 -1.28 0.00 0.00 178.44 177.86 1g72 h LYS 230 N 0.00 0.00 -0.32 0.12 1.57 -1.69 -2.04 116.57 114.20 1g72 h LYS 230 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1g72 h LYS 230 Cb 0.38 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.47 1g72 h LYS 230 CO 0.00 0.17 -0.71 0.44 -0.57 0.00 0.00 179.45 178.79 1g72 n ILE 231 N -4.23 2.10 1.52 1.86 -5.35 -1.14 -4.33 119.36 109.80 1g72 n ILE 231 Ca -0.02 -3.44 0.02 0.00 -0.27 0.00 0.00 62.75 59.04 1g72 n ILE 231 Cb 0.24 -0.40 0.06 0.00 -1.74 0.00 0.00 39.64 37.80 1g72 n ILE 231 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g72 n GLY 232 N -0.80 -0.23 7.00 3.28 0.00 -0.77 -4.35 105.19 109.32 1g72 n GLY 232 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1g72 n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 233 N 0.65 0.79 1.15 -0.02 0.00 -1.16 -2.37 105.19 104.23 1g72 n GLY 233 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1g72 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 234 N 0.00 0.68 3.76 -0.02 0.00 -0.06 -0.73 105.19 108.82 1g72 n GLY 234 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1g72 n GLY 234 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g72 s THR 235 N -2.00 2.39 -0.32 2.61 -4.23 -1.26 -3.03 115.64 109.79 1g72 s THR 235 Ca 0.00 0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 1g72 s THR 235 Cb 0.00 -3.17 0.06 0.00 1.34 0.00 0.00 72.50 70.72 1g72 s THR 235 CO 0.00 0.02 0.05 0.54 -0.54 0.00 0.00 174.62 174.69 1g72 s ASN 236 N -0.87 5.02 -0.08 3.99 4.22 -1.26 -0.38 114.94 125.58 1g72 s ASN 236 Ca 0.64 -1.36 0.12 0.00 -2.14 0.00 0.00 52.86 50.13 1g72 s ASN 236 Cb -0.38 -1.76 0.19 0.00 1.28 0.00 0.00 41.25 40.58 1g72 s ASN 236 CO 0.48 -0.31 1.08 -2.67 -2.04 0.00 0.00 177.10 173.63 1g72 n TRP 237 N 4.65 0.00 0.00 1.54 4.27 -1.26 -4.30 117.44 122.34 1g72 n TRP 237 Ca -0.11 -0.73 0.00 0.00 -3.89 0.00 0.00 57.50 52.77 1g72 n TRP 237 Cb 0.43 -0.11 0.00 0.00 -1.36 0.00 0.00 31.31 30.27 1g72 n TRP 237 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1g72 n GLY 238 N -1.02 0.57 3.40 -1.67 0.00 -1.25 -4.38 105.19 100.85 1g72 n GLY 238 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1g72 n GLY 238 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1g72 s TRP 239 N 3.12 2.00 0.45 1.61 0.52 -1.21 -4.59 118.94 120.85 1g72 s TRP 239 Ca 0.00 -0.45 0.06 0.00 0.02 0.00 0.00 56.10 55.73 1g72 s TRP 239 Cb 0.00 -0.90 -0.03 0.00 -1.15 0.00 0.00 33.47 31.38 1g72 s TRP 239 CO 0.00 0.52 0.16 0.71 0.02 0.00 0.00 176.95 178.36 1g72 s TYR 240 N -2.65 2.30 0.07 -1.98 2.02 -1.26 -4.51 117.35 111.34 1g72 s TYR 240 Ca 0.25 -0.71 -0.10 0.00 -0.37 0.00 0.00 57.07 56.15 1g72 s TYR 240 Cb -0.03 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 1g72 s TYR 240 CO 0.11 0.13 0.21 0.00 -1.57 0.00 0.00 175.55 174.43 1g72 s ALA 241 N -2.70 -0.35 -0.13 3.71 0.00 -0.85 -4.72 121.76 116.73 1g72 s ALA 241 Ca 0.32 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 1g72 s ALA 241 Cb 0.03 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.59 1g72 s ALA 241 CO 0.18 -0.45 0.33 -0.47 0.00 0.00 0.00 175.76 175.35 1g72 s TYR 242 N -3.24 -0.40 -0.36 0.00 5.04 0.35 -0.73 117.35 118.01 1g72 s TYR 242 Ca 0.00 0.94 -0.05 0.00 -2.44 0.00 0.00 57.07 55.52 1g72 s TYR 242 Cb 0.02 0.14 0.07 0.00 0.35 0.00 0.00 41.96 42.53 1g72 s TYR 242 CO -0.08 -0.22 0.13 0.34 -1.34 0.00 0.00 175.55 174.38 1g72 s ASP 243 N 0.60 5.23 0.34 4.32 -1.08 -0.58 -4.08 116.67 121.42 1g72 s ASP 243 Ca -0.03 -1.47 0.04 0.00 -0.52 0.00 0.00 52.55 50.57 1g72 s ASP 243 Cb -0.05 -1.83 0.67 0.00 -1.46 0.00 0.00 42.92 40.25 1g72 s ASP 243 CO -0.04 -0.40 1.93 -0.65 0.52 0.00 0.00 175.17 176.53 1g72 h PRO 244 N 8.14 0.83 -0.25 4.34 0.11 -1.96 0.16 132.00 143.37 1g72 h PRO 244 Ca -0.20 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1g72 h PRO 244 Cb 1.07 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1g72 h PRO 244 CO 0.63 0.55 0.07 -0.22 -0.21 0.00 0.00 178.00 178.82 1g72 h LYS 245 N 0.85 0.39 0.00 1.05 3.64 -1.97 -3.07 116.57 117.46 1g72 h LYS 245 Ca 0.36 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1g72 h LYS 245 Cb 0.31 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1g72 h LYS 245 CO -0.14 0.48 -0.52 1.28 -2.27 0.00 0.00 179.45 178.28 1g72 n LEU 246 N -4.74 0.56 -3.15 5.20 4.77 -1.10 -4.94 117.00 113.60 1g72 n LEU 246 Ca -0.03 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 1g72 n LEU 246 Cb 0.17 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1g72 n LEU 246 CO 0.36 0.03 0.03 -3.20 -1.33 0.00 0.00 177.39 173.28 1g72 n ASN 247 N -1.80 -5.94 -4.37 -1.43 4.05 0.53 -4.97 115.26 101.33 1g72 n ASN 247 Ca 0.05 -0.34 -0.32 0.00 0.45 0.00 0.00 54.58 54.41 1g72 n ASN 247 Cb 0.39 -4.78 -0.15 0.00 1.23 0.00 0.00 39.78 36.47 1g72 n ASN 247 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1g72 s LEU 248 N -6.77 2.49 0.12 1.20 1.43 -1.13 -1.86 118.68 114.15 1g72 s LEU 248 Ca 0.36 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1g72 s LEU 248 Cb -0.16 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1g72 s LEU 248 CO 0.44 0.26 -0.03 0.72 0.23 0.00 0.00 176.35 177.98 1g72 s PHE 249 N -0.26 2.88 0.08 0.29 -0.12 0.63 -1.52 117.98 119.96 1g72 s PHE 249 Ca 0.00 -0.10 0.07 0.00 -0.05 0.00 0.00 56.93 56.86 1g72 s PHE 249 Cb -0.13 -1.46 -0.03 0.00 -0.63 0.00 0.00 43.02 40.77 1g72 s PHE 249 CO 0.03 0.48 -0.19 0.71 -0.05 0.00 0.00 175.22 176.19 1g72 s TYR 250 N -1.42 1.67 0.05 3.49 1.51 0.09 -1.42 117.35 121.32 1g72 s TYR 250 Ca 0.25 -0.41 -0.28 0.00 -1.01 0.00 0.00 57.07 55.62 1g72 s TYR 250 Cb -0.11 -0.93 0.09 0.00 -0.11 0.00 0.00 41.96 40.90 1g72 s TYR 250 CO 0.17 0.15 1.05 1.52 -1.11 0.00 0.00 175.55 177.34 1g72 s TYR 251 N -1.10 -0.15 -0.05 2.71 -0.85 -1.20 -2.01 117.35 114.70 1g72 s TYR 251 Ca 0.05 -0.06 0.06 0.00 -0.52 0.00 0.00 57.07 56.60 1g72 s TYR 251 Cb -0.10 0.59 -0.02 0.00 0.38 0.00 0.00 41.96 42.81 1g72 s TYR 251 CO 0.03 -0.59 -0.21 0.20 -1.52 0.00 0.00 175.55 173.46 1g72 s GLY 252 N -2.80 1.38 0.36 5.49 0.00 -1.26 -0.71 107.32 109.77 1g72 s GLY 252 Ca 0.11 -1.04 -0.15 0.00 0.00 0.00 0.00 44.72 43.64 1g72 s GLY 252 CO -0.02 -0.77 0.77 -1.35 0.00 0.00 0.00 173.10 171.74 1g72 s SER 253 N -0.48 6.74 0.45 1.64 1.04 -0.36 -4.16 113.70 118.57 1g72 s SER 253 Ca 0.06 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1g72 s SER 253 Cb -0.11 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1g72 s SER 253 CO 0.01 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1g72 n GLY 254 N -0.61 -1.16 3.81 7.32 0.00 0.49 -2.45 105.19 112.59 1g72 n GLY 254 Ca 0.04 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 1g72 n GLY 254 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g72 s ASN 255 N -1.09 6.28 0.54 1.61 4.22 -1.26 -0.72 114.94 124.52 1g72 s ASN 255 Ca 0.00 1.77 -0.15 0.00 -2.14 0.00 0.00 52.86 52.33 1g72 s ASN 255 Cb 0.00 -2.53 -0.07 0.00 1.28 0.00 0.00 41.25 39.93 1g72 s ASN 255 CO 0.00 -0.82 0.99 -2.16 -2.04 0.00 0.00 177.10 173.07 1g72 s PRO 256 N -3.76 3.87 0.06 3.55 0.04 -1.26 -0.88 135.00 136.62 1g72 s PRO 256 Ca 0.63 0.90 0.06 0.00 0.04 0.00 0.00 61.00 62.64 1g72 s PRO 256 Cb -0.14 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1g72 s PRO 256 CO 0.28 -0.33 -0.14 0.00 0.04 0.00 0.00 177.00 176.85 1g72 s ALA 257 N -2.74 2.77 0.76 8.56 0.00 -1.00 -4.43 121.76 125.67 1g72 s ALA 257 Ca 0.58 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1g72 s ALA 257 Cb -0.10 -0.84 0.09 0.00 0.00 0.00 0.00 23.12 22.27 1g72 s ALA 257 CO 0.36 0.60 0.58 -0.35 0.00 0.00 0.00 175.76 176.95 1g72 n PRO 258 N 1.28 -0.15 0.24 0.00 -0.04 -1.26 -4.58 135.00 130.48 1g72 n PRO 258 Ca -0.15 -1.22 0.11 0.00 -0.04 0.00 0.00 63.50 62.20 1g72 n PRO 258 Cb 0.52 -0.49 0.57 0.00 -0.04 0.00 0.00 33.50 34.06 1g72 n PRO 258 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1g72 h TRP 259 N -0.89 0.00 -1.96 0.54 4.06 -1.10 -3.40 115.95 113.20 1g72 h TRP 259 Ca -0.19 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.27 1g72 h TRP 259 Cb 0.61 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.73 1g72 h TRP 259 CO 0.00 0.18 1.34 1.21 -3.56 0.00 0.00 178.44 177.62 1g72 s ASN 260 N -6.16 5.27 0.56 -3.49 3.84 -1.17 -4.82 114.94 108.98 1g72 s ASN 260 Ca -0.01 0.31 0.28 0.00 0.21 0.00 0.00 52.86 53.65 1g72 s ASN 260 Cb 0.11 -2.53 1.67 0.00 -0.55 0.00 0.00 41.25 39.96 1g72 s ASN 260 CO 0.61 -2.38 2.20 1.05 -2.79 0.00 0.00 177.10 175.79 1g72 h GLU 261 N 14.88 0.00 0.00 0.43 -0.00 -1.84 -2.46 114.58 125.58 1g72 h GLU 261 Ca -0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.08 1g72 h GLU 261 Cb 1.16 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.90 1g72 h GLU 261 CO 1.22 0.04 -0.14 1.15 -0.00 0.00 0.00 179.01 181.27 1g72 h THR 262 N 0.00 0.36 -0.00 -1.06 2.02 -1.90 -2.85 112.91 109.47 1g72 h THR 262 Ca -0.00 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1g72 h THR 262 Cb 0.09 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1g72 h THR 262 CO 0.00 0.14 -0.02 0.23 0.37 0.00 0.00 175.52 176.24 1g72 n MET 263 N -3.29 1.05 -3.05 6.66 2.81 -0.93 -4.36 117.12 116.01 1g72 n MET 263 Ca 0.00 -0.26 -0.18 0.00 -1.81 0.00 0.00 57.70 55.45 1g72 n MET 263 Cb 0.38 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 1g72 n MET 263 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1g72 n ARG 264 N -0.75 0.70 -1.72 0.03 1.85 -1.07 -4.95 116.66 110.74 1g72 n ARG 264 Ca 0.21 -2.70 -0.36 0.00 -1.00 0.00 0.00 57.85 53.99 1g72 n ARG 264 Cb 0.20 -1.33 0.07 0.00 -1.05 0.00 0.00 32.46 30.36 1g72 n ARG 264 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1g72 s PRO 265 N -0.45 2.53 0.00 2.89 0.04 -1.26 -4.87 135.00 133.89 1g72 s PRO 265 Ca 0.34 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1g72 s PRO 265 Cb 0.18 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1g72 s PRO 265 CO -0.16 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.70 1g72 n GLY 266 N 0.76 3.02 0.20 0.56 0.00 -1.26 -3.97 105.19 104.49 1g72 n GLY 266 Ca 0.15 -1.98 0.14 0.00 0.00 0.00 0.00 46.02 44.33 1g72 n GLY 266 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1g72 h ASP 267 N 0.00 0.00 -5.97 1.61 3.45 -1.86 -3.36 116.42 110.30 1g72 h ASP 267 Ca 0.00 0.00 -0.41 0.00 0.43 0.00 0.00 57.03 57.05 1g72 h ASP 267 Cb 0.00 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 38.86 1g72 h ASP 267 CO 0.00 0.00 -0.72 0.59 -1.57 0.00 0.00 179.24 177.54 1g72 n ASN 268 N -2.51 -5.04 -4.79 6.45 3.02 -0.45 -1.18 115.26 110.75 1g72 n ASN 268 Ca -0.00 -0.64 -0.34 0.00 -0.03 0.00 0.00 54.58 53.57 1g72 n ASN 268 Cb 0.15 -4.67 -0.03 0.00 -0.61 0.00 0.00 39.78 34.62 1g72 n ASN 268 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1g72 s LYS 269 N -6.26 3.83 -0.72 3.52 1.02 -1.26 -2.26 119.74 117.61 1g72 s LYS 269 Ca 0.49 1.40 0.01 0.00 0.02 0.00 0.00 55.97 57.90 1g72 s LYS 269 Cb -0.23 -2.16 0.37 0.00 -0.52 0.00 0.00 37.83 35.29 1g72 s LYS 269 CO 0.76 -0.41 1.59 0.91 -0.92 0.00 0.00 175.35 177.28 1g72 n TRP 270 N -0.84 3.21 -1.79 3.18 7.02 0.11 -4.34 117.44 123.98 1g72 n TRP 270 Ca 0.09 -2.79 -0.30 0.00 -1.02 0.00 0.00 57.50 53.48 1g72 n TRP 270 Cb 0.52 -0.76 0.08 0.00 -2.42 0.00 0.00 31.31 28.72 1g72 n TRP 270 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1g72 s THR 271 N -5.06 2.81 -1.57 -0.99 -4.23 -0.96 -3.96 115.64 101.68 1g72 s THR 271 Ca 0.49 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 61.11 1g72 s THR 271 Cb 0.37 -3.19 0.10 0.00 1.34 0.00 0.00 72.50 71.13 1g72 s THR 271 CO -0.28 -0.34 0.95 0.23 -0.54 0.00 0.00 174.62 174.64 1g72 n MET 272 N -3.26 -5.07 -5.09 3.99 2.81 0.10 -4.79 117.12 105.81 1g72 n MET 272 Ca 0.07 0.55 -0.32 0.00 -1.81 0.00 0.00 57.70 56.20 1g72 n MET 272 Cb 0.58 -5.42 -0.15 0.00 -0.71 0.00 0.00 33.22 27.52 1g72 n MET 272 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1g72 s THR 273 N -3.29 2.50 -0.21 2.03 2.01 -1.23 -0.38 115.64 117.06 1g72 s THR 273 Ca 0.69 -0.91 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 1g72 s THR 273 Cb -0.35 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1g72 s THR 273 CO 0.85 0.57 0.69 -0.63 -0.69 0.00 0.00 174.62 175.41 1g72 s ILE 274 N -0.33 4.96 0.11 1.82 1.01 0.43 -1.23 121.20 127.97 1g72 s ILE 274 Ca 0.02 1.30 0.05 0.00 0.00 0.00 0.00 60.65 62.01 1g72 s ILE 274 Cb -0.13 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1g72 s ILE 274 CO 0.02 0.05 0.03 0.26 0.00 0.00 0.00 174.94 175.31 1g72 s TRP 275 N 2.23 3.04 -0.32 3.97 0.52 0.12 -1.09 118.94 127.40 1g72 s TRP 275 Ca 0.30 -0.02 -0.00 0.00 0.02 0.00 0.00 56.10 56.41 1g72 s TRP 275 Cb -0.16 -1.53 0.10 0.00 -1.15 0.00 0.00 33.47 30.73 1g72 s TRP 275 CO 0.10 0.50 0.09 0.20 0.02 0.00 0.00 176.95 177.86 1g72 s GLY 276 N -2.49 1.21 0.11 0.98 0.00 -0.51 -3.27 107.32 103.35 1g72 s GLY 276 Ca 0.27 -1.82 0.10 0.00 0.00 0.00 0.00 44.72 43.28 1g72 s GLY 276 CO 0.20 1.51 -0.25 0.50 0.00 0.00 0.00 173.10 175.06 1g72 s ARG 277 N 1.49 1.57 -0.01 2.90 0.52 -0.50 -0.41 118.95 124.50 1g72 s ARG 277 Ca 0.10 -1.26 -0.30 0.00 -0.52 0.00 0.00 55.73 53.75 1g72 s ARG 277 Cb -0.18 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 1g72 s ARG 277 CO -0.22 0.47 1.17 0.34 0.02 0.00 0.00 175.30 177.08 1g72 s ASP 278 N -1.90 7.10 0.24 0.23 -1.08 -0.39 -0.27 116.67 120.60 1g72 s ASP 278 Ca 0.14 1.87 -0.07 0.00 -0.52 0.00 0.00 52.55 53.97 1g72 s ASP 278 Cb -0.10 -2.57 0.26 0.00 -1.46 0.00 0.00 42.92 39.05 1g72 s ASP 278 CO 0.06 -0.50 1.91 0.25 0.52 0.00 0.00 175.17 177.41 1g72 h LEU 279 N 7.50 1.05 -0.18 -1.34 5.85 -1.72 0.57 115.31 127.04 1g72 h LEU 279 Ca -0.38 -0.02 -0.23 0.00 0.84 0.00 0.00 57.88 58.10 1g72 h LEU 279 Cb 1.19 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.97 1g72 h LEU 279 CO 0.84 0.74 -0.86 0.44 -0.34 0.00 0.00 178.44 179.26 1g72 h ASP 280 N 1.23 0.74 0.00 1.25 3.32 -1.92 -3.36 116.42 117.68 1g72 h ASP 280 Ca 0.36 -0.53 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 1g72 h ASP 280 Cb -0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1g72 h ASP 280 CO -0.09 1.32 -1.81 0.35 -1.72 0.00 0.00 179.24 177.29 1g72 n THR 281 N -3.85 0.28 -0.90 0.35 -2.24 -1.21 -4.98 114.28 101.72 1g72 n THR 281 Ca -0.07 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1g72 n THR 281 Cb 0.79 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1g72 n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g72 n GLY 282 N 1.73 0.95 3.72 3.38 0.00 0.20 -4.98 105.19 110.19 1g72 n GLY 282 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1g72 n GLY 282 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g72 s MET 283 N -0.10 4.30 -0.05 1.61 -1.94 -1.25 -4.58 119.30 117.29 1g72 s MET 283 Ca 0.00 2.14 -0.30 0.00 -1.71 0.00 0.00 55.69 55.82 1g72 s MET 283 Cb 0.00 -3.22 -0.03 0.00 2.01 0.00 0.00 34.83 33.59 1g72 s MET 283 CO 0.00 -0.47 1.08 0.00 -0.01 0.00 0.00 175.02 175.62 1g72 s ALA 284 N 1.06 3.37 -0.03 3.03 0.00 -0.11 -1.27 121.76 127.81 1g72 s ALA 284 Ca 0.65 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 1g72 s ALA 284 Cb -0.38 -3.44 -0.27 0.00 0.00 0.00 0.00 23.12 19.03 1g72 s ALA 284 CO 0.31 -0.55 0.73 -0.22 0.00 0.00 0.00 175.76 176.03 1g72 h LYS 285 N 7.10 0.21 -2.80 0.00 3.64 -1.09 -1.71 116.57 121.92 1g72 h LYS 285 Ca -0.35 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 58.60 1g72 h LYS 285 Cb 1.18 0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 32.96 1g72 h LYS 285 CO 0.83 1.03 0.00 1.67 -2.27 0.00 0.00 179.45 180.72 1g72 s TRP 286 N -2.60 -0.39 -0.18 1.91 1.48 -1.14 -1.32 118.94 116.69 1g72 s TRP 286 Ca -0.11 0.45 -0.10 0.00 -1.06 0.00 0.00 56.10 55.28 1g72 s TRP 286 Cb 0.07 0.31 0.06 0.00 -1.16 0.00 0.00 33.47 32.75 1g72 s TRP 286 CO 0.83 -0.61 0.45 0.20 -4.06 0.00 0.00 176.95 173.75 1g72 s GLY 287 N -1.91 -0.37 -0.22 3.67 0.00 -1.26 -1.42 107.32 105.81 1g72 s GLY 287 Ca -0.06 1.64 0.02 0.00 0.00 0.00 0.00 44.72 46.32 1g72 s GLY 287 CO -0.01 1.78 -0.15 -0.47 0.00 0.00 0.00 173.10 174.26 1g72 s TYR 288 N 1.45 3.02 -0.38 1.90 5.04 -0.25 -4.92 117.35 123.20 1g72 s TYR 288 Ca -0.10 -2.00 -0.28 0.00 -2.44 0.00 0.00 57.07 52.25 1g72 s TYR 288 Cb -0.08 -1.91 0.02 0.00 0.35 0.00 0.00 41.96 40.34 1g72 s TYR 288 CO -0.14 -0.84 1.04 -1.14 -1.34 0.00 0.00 175.55 173.13 1g72 s GLN 289 N 1.20 3.88 0.05 4.97 0.74 -1.26 -0.43 119.66 128.81 1g72 s GLN 289 Ca -0.03 0.74 -0.18 0.00 0.05 0.00 0.00 55.36 55.95 1g72 s GLN 289 Cb -0.17 -3.81 -0.16 0.00 1.10 0.00 0.00 33.01 29.97 1g72 s GLN 289 CO -0.09 -1.06 1.28 0.87 -0.55 0.00 0.00 175.29 175.75 1g72 h LYS 290 N 8.55 0.52 -3.14 1.67 1.57 -1.02 -3.41 116.57 121.30 1g72 h LYS 290 Ca -0.22 -0.37 -0.62 0.00 -1.87 0.00 0.00 60.65 57.57 1g72 h LYS 290 Cb 1.07 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.03 1g72 h LYS 290 CO 1.04 0.99 -0.69 0.99 -0.57 0.00 0.00 179.45 181.21 1g72 s THR 291 N -3.89 1.91 0.37 -0.16 2.01 -1.24 -4.65 115.64 110.00 1g72 s THR 291 Ca -0.13 -2.91 -0.27 0.00 0.31 0.00 0.00 61.69 58.68 1g72 s THR 291 Cb 0.06 -2.33 -0.10 0.00 0.01 0.00 0.00 72.50 70.14 1g72 s THR 291 CO 0.81 -0.86 1.34 -2.84 -0.69 0.00 0.00 174.62 172.38 1g72 s PRO 292 N 0.04 4.15 -0.94 4.92 0.02 -1.26 -3.65 135.00 138.28 1g72 s PRO 292 Ca 0.18 2.26 -0.10 0.00 0.02 0.00 0.00 61.00 63.35 1g72 s PRO 292 Cb -0.24 -2.92 0.01 0.00 0.02 0.00 0.00 34.50 31.36 1g72 s PRO 292 CO -0.00 -0.38 0.66 1.58 -0.33 0.00 0.00 177.00 178.53 1g72 n HIS 293 N 0.46 -2.03 -1.62 6.54 -0.00 -0.33 -4.81 115.22 113.43 1g72 n HIS 293 Ca 0.02 0.67 -0.45 0.00 -0.00 0.00 0.00 57.72 57.95 1g72 n HIS 293 Cb 0.42 -3.06 -0.02 0.00 -0.00 0.00 0.00 29.99 27.33 1g72 n HIS 293 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1g72 n ASP 294 N -2.42 1.89 0.00 0.26 2.03 -1.24 -4.89 116.55 112.18 1g72 n ASP 294 Ca -0.20 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.28 1g72 n ASP 294 Cb 0.63 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 1g72 n ASP 294 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1g72 n GLU 295 N 1.21 0.66 0.00 -0.67 1.02 -1.26 -4.71 120.64 116.89 1g72 n GLU 295 Ca 0.10 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1g72 n GLU 295 Cb 0.31 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 1g72 n GLU 295 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1g72 n TRP 296 N -0.16 0.00 -3.38 -0.32 8.01 -1.26 -4.53 117.44 115.81 1g72 n TRP 296 Ca 0.00 -0.07 -0.17 0.00 -1.31 0.00 0.00 57.50 55.95 1g72 n TRP 296 Cb 0.23 -0.01 0.08 0.00 -2.01 0.00 0.00 31.31 29.60 1g72 n TRP 296 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1g72 n ASP 297 N -0.07 -2.97 -3.00 -0.99 4.64 -1.26 -4.04 116.55 108.86 1g72 n ASP 297 Ca 0.00 -0.56 -0.33 0.00 -1.38 0.00 0.00 54.79 52.52 1g72 n ASP 297 Cb 0.44 -4.80 -0.03 0.00 -1.04 0.00 0.00 41.12 35.69 1g72 n ASP 297 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1g72 n PHE 298 N -4.13 2.07 -1.42 -0.67 0.99 -1.26 -4.77 117.46 108.27 1g72 n PHE 298 Ca -0.21 -2.41 -0.61 0.00 -0.00 0.00 0.00 57.45 54.22 1g72 n PHE 298 Cb 0.64 -1.66 -0.11 0.00 -1.00 0.00 0.00 39.48 37.34 1g72 n PHE 298 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1g72 n ALA 299 N 1.47 -0.15 -0.88 4.37 0.00 -1.26 -4.61 120.51 119.44 1g72 n ALA 299 Ca 0.57 0.26 -0.12 0.00 0.00 0.00 0.00 53.44 54.15 1g72 n ALA 299 Cb 0.40 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.73 1g72 n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g72 n GLY 300 N 6.35 3.33 0.73 0.00 0.00 -1.22 -4.45 105.19 109.92 1g72 n GLY 300 Ca 0.46 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.72 1g72 n GLY 300 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g72 n VAL 301 N 1.36 0.23 -0.98 1.61 0.24 -1.26 -3.81 118.33 115.72 1g72 n VAL 301 Ca 0.26 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.34 61.79 1g72 n VAL 301 Cb 0.63 0.65 0.13 0.00 -1.47 0.00 0.00 33.84 33.79 1g72 n VAL 301 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1g72 n ASN 302 N 0.68 0.43 -4.44 -1.34 3.02 -1.26 -3.31 115.26 109.04 1g72 n ASN 302 Ca 0.17 0.52 -0.45 0.00 -0.03 0.00 0.00 54.58 54.79 1g72 n ASN 302 Cb 0.43 -1.46 -0.01 0.00 -0.61 0.00 0.00 39.78 38.13 1g72 n ASN 302 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1g72 n GLN 303 N -3.23 0.46 -4.26 3.52 7.27 -1.26 -4.64 117.38 115.24 1g72 n GLN 303 Ca 0.12 0.16 -0.34 0.00 0.07 0.00 0.00 57.00 57.02 1g72 n GLN 303 Cb 0.51 -1.33 -0.13 0.00 2.41 0.00 0.00 30.24 31.70 1g72 n GLN 303 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1g72 s MET 304 N -1.28 3.51 -0.21 3.69 -1.94 -1.26 -4.42 119.30 117.38 1g72 s MET 304 Ca 0.62 -0.59 -0.02 0.00 -1.71 0.00 0.00 55.69 54.00 1g72 s MET 304 Cb -0.75 -2.92 0.01 0.00 2.01 0.00 0.00 34.83 33.18 1g72 s MET 304 CO 0.58 0.05 -0.10 0.08 -0.01 0.00 0.00 175.02 175.62 1g72 s VAL 305 N 0.84 2.80 -0.20 -6.03 1.01 -0.19 -4.65 120.40 113.97 1g72 s VAL 305 Ca -0.01 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1g72 s VAL 305 Cb -0.15 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1g72 s VAL 305 CO 0.01 0.41 0.24 -0.76 0.00 0.00 0.00 175.10 175.01 1g72 s LEU 306 N 1.38 4.17 0.09 3.92 1.43 -0.51 -0.33 118.68 128.83 1g72 s LEU 306 Ca 0.04 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 1g72 s LEU 306 Cb -0.14 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1g72 s LEU 306 CO -0.07 0.07 0.03 0.42 0.23 0.00 0.00 176.35 177.02 1g72 s THR 307 N 0.83 0.17 -0.25 5.49 -4.23 -1.00 -4.78 115.64 111.86 1g72 s THR 307 Ca 0.12 -1.80 0.03 0.00 -1.18 0.00 0.00 61.69 58.86 1g72 s THR 307 Cb -0.13 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 72.05 1g72 s THR 307 CO 0.04 -0.76 -0.11 -1.81 -0.54 0.00 0.00 174.62 171.44 1g72 s ASP 308 N -2.97 4.34 0.06 3.99 -0.00 -1.26 -0.38 116.67 120.45 1g72 s ASP 308 Ca 0.14 -1.32 -0.00 0.00 -0.00 0.00 0.00 52.55 51.37 1g72 s ASP 308 Cb 0.07 -1.55 -0.04 0.00 -0.00 0.00 0.00 42.92 41.41 1g72 s ASP 308 CO -0.05 -0.17 -0.04 -1.10 -0.00 0.00 0.00 175.17 173.80 1g72 s GLN 309 N 1.13 0.65 -0.03 8.23 -0.21 -1.01 -4.90 119.66 123.52 1g72 s GLN 309 Ca -0.07 -1.20 -0.30 0.00 0.02 0.00 0.00 55.36 53.80 1g72 s GLN 309 Cb -0.19 0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.86 1g72 s GLN 309 CO -0.06 -0.08 1.19 -1.25 -2.12 0.00 0.00 175.29 172.98 1g72 s PRO 310 N -3.68 4.38 -0.16 2.91 0.04 -1.26 -0.03 135.00 137.19 1g72 s PRO 310 Ca 0.06 1.69 -0.00 0.00 0.04 0.00 0.00 61.00 62.79 1g72 s PRO 310 Cb 0.06 -3.51 0.04 0.00 0.04 0.00 0.00 34.50 31.13 1g72 s PRO 310 CO -0.08 -0.39 -0.07 0.08 0.04 0.00 0.00 177.00 176.58 1g72 s VAL 311 N 1.90 1.21 -1.19 -0.36 1.01 0.15 -4.70 120.40 118.43 1g72 s VAL 311 Ca 0.56 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1g72 s VAL 311 Cb -0.26 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1g72 s VAL 311 CO 0.24 0.20 0.65 -3.20 0.00 0.00 0.00 175.10 172.99 1g72 n ASN 312 N 4.85 -5.33 0.00 3.32 4.05 -1.26 -2.30 115.26 118.60 1g72 n ASN 312 Ca -0.13 -0.30 0.00 0.00 0.45 0.00 0.00 54.58 54.60 1g72 n ASN 312 Cb 0.48 -4.09 0.00 0.00 1.23 0.00 0.00 39.78 37.41 1g72 n ASN 312 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1g72 n GLY 313 N -1.49 0.93 3.12 8.20 0.00 -1.26 -5.03 105.19 109.66 1g72 n GLY 313 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1g72 n GLY 313 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g72 s LYS 314 N -0.09 1.73 0.14 1.61 2.20 -0.97 -5.05 119.74 119.31 1g72 s LYS 314 Ca 0.00 -0.58 -0.31 0.00 -0.36 0.00 0.00 55.97 54.72 1g72 s LYS 314 Cb 0.00 -1.50 -0.11 0.00 -1.51 0.00 0.00 37.83 34.71 1g72 s LYS 314 CO 0.00 0.22 1.81 -0.12 -0.36 0.00 0.00 175.35 176.90 1g72 n MET 315 N 3.20 2.78 -4.49 4.03 0.00 -1.26 0.33 117.12 121.71 1g72 n MET 315 Ca -0.18 1.01 -0.21 0.00 -0.00 0.00 0.00 57.70 58.31 1g72 n MET 315 Cb 0.53 -2.89 -0.15 0.00 0.00 0.00 0.00 33.22 30.70 1g72 n MET 315 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1g72 s THR 316 N 2.36 0.93 -0.45 1.12 2.01 0.95 -4.87 115.64 117.70 1g72 s THR 316 Ca 0.80 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1g72 s THR 316 Cb -0.49 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.23 1g72 s THR 316 CO 0.36 0.28 1.31 -2.16 -0.69 0.00 0.00 174.62 173.72 1g72 s PRO 317 N 0.08 3.61 0.35 4.92 0.04 -1.26 -2.41 135.00 140.33 1g72 s PRO 317 Ca -0.02 0.75 0.08 0.00 0.04 0.00 0.00 61.00 61.85 1g72 s PRO 317 Cb -0.08 -3.99 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 1g72 s PRO 317 CO 0.01 -1.53 0.25 -0.51 0.04 0.00 0.00 177.00 175.26 1g72 s LEU 318 N 5.12 3.43 -0.04 -3.56 1.43 0.49 -1.34 118.68 124.20 1g72 s LEU 318 Ca 0.56 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1g72 s LEU 318 Cb -0.11 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.15 1g72 s LEU 318 CO 0.32 -0.39 0.01 -0.22 0.23 0.00 0.00 176.35 176.30 1g72 s LEU 319 N -3.96 0.84 0.18 1.79 0.20 -0.03 -2.38 118.68 115.32 1g72 s LEU 319 Ca 0.41 -0.02 0.10 0.00 0.69 0.00 0.00 54.13 55.31 1g72 s LEU 319 Cb -0.04 -0.27 -0.04 0.00 -0.43 0.00 0.00 46.19 45.41 1g72 s LEU 319 CO 0.25 -0.15 -0.18 -0.44 -0.29 0.00 0.00 176.35 175.54 1g72 s SER 320 N 1.47 3.77 -0.29 3.68 0.01 0.56 -0.53 113.70 122.37 1g72 s SER 320 Ca -0.03 -0.74 -0.16 0.00 1.31 0.00 0.00 55.95 56.33 1g72 s SER 320 Cb -0.13 -0.45 0.12 0.00 0.21 0.00 0.00 66.02 65.77 1g72 s SER 320 CO -0.03 0.12 0.86 -2.28 0.41 0.00 0.00 173.24 172.32 1g72 s HIS 321 N -1.66 -0.78 -0.40 2.43 5.04 0.31 -1.03 115.29 119.20 1g72 s HIS 321 Ca 0.22 1.54 -0.09 0.00 -1.54 0.00 0.00 55.06 55.19 1g72 s HIS 321 Cb -0.08 0.47 0.06 0.00 0.04 0.00 0.00 32.58 33.07 1g72 s HIS 321 CO 0.12 -0.39 0.23 0.42 -2.34 0.00 0.00 174.74 172.78 1g72 s ILE 322 N 1.57 4.26 0.71 0.89 1.01 -1.26 0.08 121.20 128.46 1g72 s ILE 322 Ca -0.09 -1.26 -0.11 0.00 0.00 0.00 0.00 60.65 59.19 1g72 s ILE 322 Cb -0.05 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.90 1g72 s ILE 322 CO -0.17 -0.42 1.09 -0.62 0.00 0.00 0.00 174.94 174.82 1g72 s ASP 323 N 1.93 5.39 0.44 3.58 -1.08 -0.85 -4.81 116.67 121.28 1g72 s ASP 323 Ca 0.02 1.20 0.12 0.00 -0.52 0.00 0.00 52.55 53.38 1g72 s ASP 323 Cb -0.22 -2.02 1.01 0.00 -1.46 0.00 0.00 42.92 40.23 1g72 s ASP 323 CO 0.03 -1.38 2.02 0.03 0.52 0.00 0.00 175.17 176.39 1g72 h ARG 324 N -0.68 0.39 0.00 4.34 2.47 -1.79 -1.38 114.38 117.73 1g72 h ARG 324 Ca -0.45 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1g72 h ARG 324 Cb 1.25 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1g72 h ARG 324 CO 0.63 0.26 0.00 0.27 0.56 0.00 0.00 179.97 181.69 1g72 n ASN 325 N -4.47 0.00 0.00 7.04 0.23 -1.26 -2.44 115.26 114.36 1g72 n ASN 325 Ca 0.06 -0.39 0.00 0.00 -0.53 0.00 0.00 54.58 53.72 1g72 n ASN 325 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 1g72 n ASN 325 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1g72 n GLY 326 N -0.26 0.53 3.58 4.83 0.00 -0.52 -4.61 105.19 108.75 1g72 n GLY 326 Ca 0.08 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1g72 n GLY 326 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g72 s ILE 327 N -2.00 4.12 -0.28 -0.61 -1.09 -1.26 -1.15 121.20 118.93 1g72 s ILE 327 Ca 0.00 -0.29 -0.17 0.00 -2.23 0.00 0.00 60.65 57.96 1g72 s ILE 327 Cb 0.00 -2.78 -0.03 0.00 -1.58 0.00 0.00 42.46 38.07 1g72 s ILE 327 CO 0.00 0.53 0.46 -0.22 -1.23 0.00 0.00 174.94 174.48 1g72 s LEU 328 N -0.12 4.11 -0.04 2.97 0.20 0.16 -2.00 118.68 123.95 1g72 s LEU 328 Ca 0.03 0.32 0.00 0.00 0.69 0.00 0.00 54.13 55.17 1g72 s LEU 328 Cb -0.13 -2.55 -0.03 0.00 -0.43 0.00 0.00 46.19 43.05 1g72 s LEU 328 CO 0.02 -0.28 -0.02 -0.31 -0.29 0.00 0.00 176.35 175.47 1g72 s TYR 329 N 2.22 3.05 -0.06 5.38 1.51 0.11 -1.87 117.35 127.69 1g72 s TYR 329 Ca 0.18 0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.32 1g72 s TYR 329 Cb -0.16 -1.71 0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1g72 s TYR 329 CO 0.10 0.42 0.02 0.99 -1.11 0.00 0.00 175.55 175.97 1g72 s THR 330 N -0.94 0.24 0.27 -0.71 2.01 -0.36 -0.53 115.64 115.62 1g72 s THR 330 Ca 0.15 0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.40 1g72 s THR 330 Cb -0.11 -0.41 -0.06 0.00 0.01 0.00 0.00 72.50 71.93 1g72 s THR 330 CO 0.05 0.23 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.42 1g72 s LEU 331 N 1.92 2.37 -0.27 4.42 1.02 0.31 -0.98 118.68 127.47 1g72 s LEU 331 Ca 0.03 -1.22 -0.28 0.00 0.02 0.00 0.00 54.13 52.68 1g72 s LEU 331 Cb -0.12 -0.49 0.01 0.00 0.02 0.00 0.00 46.19 45.60 1g72 s LEU 331 CO -0.04 -0.42 1.02 0.21 0.02 0.00 0.00 176.35 177.14 1g72 s ASN 332 N -3.40 7.00 0.00 2.29 3.84 -0.33 -0.85 114.94 123.49 1g72 s ASN 332 Ca 0.30 1.20 0.18 0.00 0.21 0.00 0.00 52.86 54.74 1g72 s ASN 332 Cb 0.05 -2.53 0.85 0.00 -0.55 0.00 0.00 41.25 39.07 1g72 s ASN 332 CO 0.11 -0.73 1.56 -2.11 -2.79 0.00 0.00 177.10 173.14 1g72 n ARG 333 N 6.48 0.15 -0.05 0.43 1.85 -0.45 -0.65 116.66 124.42 1g72 n ARG 333 Ca 0.11 0.15 -0.17 0.00 -1.00 0.00 0.00 57.85 56.94 1g72 n ARG 333 Cb 0.47 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.25 1g72 n ARG 333 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1g72 h GLU 334 N 0.00 0.08 -0.00 2.89 5.08 -1.91 -3.42 114.58 117.30 1g72 h GLU 334 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1g72 h GLU 334 Cb 0.23 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1g72 h GLU 334 CO 0.00 1.06 -0.16 0.27 -1.00 0.00 0.00 179.01 179.18 1g72 n ASN 335 N -4.42 0.38 0.00 1.42 2.04 -1.20 -4.95 115.26 108.52 1g72 n ASN 335 Ca -0.17 -0.69 0.00 0.00 -0.44 0.00 0.00 54.58 53.28 1g72 n ASN 335 Cb 0.62 0.84 0.00 0.00 -2.53 0.00 0.00 39.78 38.71 1g72 n ASN 335 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1g72 n GLY 336 N 0.96 0.75 3.69 4.83 0.00 0.17 -4.72 105.19 110.87 1g72 n GLY 336 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1g72 n GLY 336 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g72 n ASN 337 N 0.00 3.15 -4.69 1.61 4.13 -1.25 -4.69 115.26 113.52 1g72 n ASN 337 Ca 0.00 1.12 -0.41 0.00 1.68 0.00 0.00 54.58 56.96 1g72 n ASN 337 Cb 0.00 -1.47 -0.04 0.00 -1.54 0.00 0.00 39.78 36.74 1g72 n ASN 337 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1g72 s LEU 338 N 0.32 4.26 -0.10 3.41 2.96 -1.26 -1.18 118.68 127.08 1g72 s LEU 338 Ca 0.71 1.36 -0.01 0.00 -0.22 0.00 0.00 54.13 55.96 1g72 s LEU 338 Cb -0.62 -3.35 -0.05 0.00 0.50 0.00 0.00 46.19 42.67 1g72 s LEU 338 CO 0.45 -0.33 -0.10 -0.38 -1.32 0.00 0.00 176.35 174.66 1g72 n ILE 339 N 4.34 0.55 -4.12 6.68 5.41 -0.15 -4.97 119.36 127.10 1g72 n ILE 339 Ca 0.05 -0.18 -0.16 0.00 1.00 0.00 0.00 62.75 63.46 1g72 n ILE 339 Cb 0.50 -1.13 -0.15 0.00 -0.71 0.00 0.00 39.64 38.15 1g72 n ILE 339 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1g72 s VAL 340 N -2.19 0.36 -0.48 1.39 1.01 -0.52 -4.97 120.40 115.01 1g72 s VAL 340 Ca -0.13 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1g72 s VAL 340 Cb 0.04 -0.32 0.18 0.00 0.00 0.00 0.00 36.38 36.29 1g72 s VAL 340 CO 0.20 0.11 0.59 0.00 0.00 0.00 0.00 175.10 176.00 1g72 n ALA 341 N 3.09 -0.07 -2.59 5.51 0.00 -1.23 -1.22 120.51 123.99 1g72 n ALA 341 Ca -0.14 -1.83 -0.29 0.00 0.00 0.00 0.00 53.44 51.17 1g72 n ALA 341 Cb 0.58 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 1g72 n ALA 341 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1g72 s GLU 342 N 0.54 2.18 0.13 0.00 0.41 -0.78 -4.52 118.70 116.66 1g72 s GLU 342 Ca 0.31 -1.02 -0.31 0.00 -0.41 0.00 0.00 54.97 53.54 1g72 s GLU 342 Cb 0.02 -2.33 -0.08 0.00 -1.78 0.00 0.00 34.13 29.97 1g72 s GLU 342 CO -0.11 0.50 1.32 0.15 -0.49 0.00 0.00 175.26 176.64 1g72 s LYS 343 N -2.30 4.37 0.38 1.61 1.02 -1.26 0.36 119.74 123.92 1g72 s LYS 343 Ca 0.22 2.00 0.27 0.00 0.02 0.00 0.00 55.97 58.49 1g72 s LYS 343 Cb -0.11 -3.25 0.98 0.00 -0.52 0.00 0.00 37.83 34.93 1g72 s LYS 343 CO 0.15 -0.34 1.80 -0.39 -0.92 0.00 0.00 175.35 175.65 1g72 h VAL 344 N 4.14 0.00 -2.53 3.17 -1.51 -1.49 -3.44 116.25 114.60 1g72 h VAL 344 Ca -0.43 -0.49 -0.10 0.00 -1.23 0.00 0.00 66.70 64.45 1g72 h VAL 344 Cb 1.21 1.40 -0.23 0.00 -2.13 0.00 0.00 31.29 31.54 1g72 h VAL 344 CO 0.82 0.00 -0.13 -0.62 -1.23 0.00 0.00 177.57 176.41 1g72 s ASP 345 N -5.09 -0.53 0.35 4.19 -1.08 -1.26 -5.03 116.67 108.23 1g72 s ASP 345 Ca 0.05 1.01 0.24 0.00 -0.52 0.00 0.00 52.55 53.33 1g72 s ASP 345 Cb 0.09 1.02 1.29 0.00 -1.46 0.00 0.00 42.92 43.86 1g72 s ASP 345 CO 0.52 -0.17 1.74 1.55 0.52 0.00 0.00 175.17 179.33 1g72 h PRO 346 N 5.41 0.00 0.00 4.34 0.13 -1.98 -2.64 132.00 137.26 1g72 h PRO 346 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1g72 h PRO 346 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1g72 h PRO 346 CO 0.19 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.96 1g72 h ALA 347 N 2.01 1.00 -2.26 -0.56 0.00 -1.97 -3.43 119.26 114.05 1g72 h ALA 347 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1g72 h ALA 347 Cb 0.02 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1g72 h ALA 347 CO 0.00 0.00 1.15 0.28 0.00 0.00 0.00 179.25 180.68 1g72 n VAL 348 N -2.78 0.60 -0.27 0.00 0.31 -1.00 -4.61 118.33 110.57 1g72 n VAL 348 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1g72 n VAL 348 Cb 0.22 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 1g72 n VAL 348 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1g72 n ASN 349 N 6.72 0.52 0.22 4.52 0.23 -0.37 -4.73 115.26 122.36 1g72 n ASN 349 Ca 0.20 -0.86 0.06 0.00 -0.53 0.00 0.00 54.58 53.45 1g72 n ASN 349 Cb 0.36 0.14 0.48 0.00 -2.08 0.00 0.00 39.78 38.68 1g72 n ASN 349 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 1g72 h VAL 350 N 0.27 1.05 -4.13 3.53 -1.51 -1.84 -3.43 116.25 110.19 1g72 h VAL 350 Ca 0.00 -0.90 -0.52 0.00 -1.23 0.00 0.00 66.70 64.05 1g72 h VAL 350 Cb 0.14 1.50 -0.26 0.00 -2.13 0.00 0.00 31.29 30.54 1g72 h VAL 350 CO 0.00 0.25 -0.82 -0.36 -1.23 0.00 0.00 177.57 175.41 1g72 s PHE 351 N -4.32 1.53 0.18 5.19 2.99 -1.26 -2.20 117.98 120.08 1g72 s PHE 351 Ca -0.03 -0.35 0.05 0.00 0.00 0.00 0.00 56.93 56.60 1g72 s PHE 351 Cb 0.14 -0.92 0.04 0.00 0.00 0.00 0.00 43.02 42.29 1g72 s PHE 351 CO 0.68 0.05 1.42 0.87 -0.00 0.00 0.00 175.22 178.24 1g72 h LYS 352 N 5.03 0.12 0.00 0.44 1.57 -1.15 -3.47 116.57 119.11 1g72 h LYS 352 Ca -0.40 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1g72 h LYS 352 Cb 1.17 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1g72 h LYS 352 CO 0.45 0.88 0.00 0.36 -0.57 0.00 0.00 179.45 180.57 1g72 n LYS 353 N -3.64 -1.50 -4.05 3.15 2.85 -1.25 -5.03 118.16 108.69 1g72 n LYS 353 Ca -0.02 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.89 1g72 n LYS 353 Cb 0.78 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 35.03 1g72 n LYS 353 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1g72 s VAL 354 N -2.00 3.71 -0.26 0.58 1.01 -1.26 -0.30 120.40 121.87 1g72 s VAL 354 Ca 0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.31 1g72 s VAL 354 Cb 0.00 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1g72 s VAL 354 CO 0.00 0.43 1.01 -0.62 0.00 0.00 0.00 175.10 175.92 1g72 s ASP 355 N 1.15 6.99 0.48 3.32 2.15 -0.63 -4.93 116.67 125.21 1g72 s ASP 355 Ca 0.02 1.20 0.24 0.00 0.43 0.00 0.00 52.55 54.44 1g72 s ASP 355 Cb -0.14 -2.52 1.23 0.00 -0.30 0.00 0.00 42.92 41.19 1g72 s ASP 355 CO 0.00 -0.71 1.99 -0.07 -0.17 0.00 0.00 175.17 176.21 1g72 h LEU 356 N 9.62 0.00 0.01 -1.34 3.38 -1.94 0.42 115.31 125.45 1g72 h LEU 356 Ca -0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1g72 h LEU 356 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1g72 h LEU 356 CO 0.98 0.18 -0.15 0.11 0.09 0.00 0.00 178.44 179.64 1g72 h LYS 357 N 0.00 0.02 0.00 1.13 6.56 -1.96 -3.33 116.57 118.99 1g72 h LYS 357 Ca -0.00 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.52 1g72 h LYS 357 Cb 0.45 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 1g72 h LYS 357 CO 0.02 1.01 -0.19 1.79 -2.06 0.00 0.00 179.45 180.03 1g72 h THR 358 N -0.97 0.34 -0.01 -0.16 1.35 -1.98 -3.47 112.91 108.01 1g72 h THR 358 Ca -0.04 -1.39 -0.00 0.00 -0.55 0.00 0.00 66.41 64.43 1g72 h THR 358 Cb 1.06 2.09 -0.00 0.00 -1.73 0.00 0.00 68.15 69.57 1g72 h THR 358 CO -0.01 0.18 -0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1g72 n GLY 359 N 1.00 0.34 3.45 5.82 0.00 0.15 -4.88 105.19 111.06 1g72 n GLY 359 Ca 0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1g72 n GLY 359 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g72 s THR 360 N -1.68 2.37 0.29 2.61 -4.23 -1.20 -4.90 115.64 108.90 1g72 s THR 360 Ca 0.00 -2.30 -0.29 0.00 -1.18 0.00 0.00 61.69 57.92 1g72 s THR 360 Cb 0.00 -2.23 -0.10 0.00 1.34 0.00 0.00 72.50 71.52 1g72 s THR 360 CO 0.00 -0.36 1.10 -2.84 -0.54 0.00 0.00 174.62 171.98 1g72 s PRO 361 N -3.33 4.60 -0.63 3.99 0.02 -1.26 -1.60 135.00 136.78 1g72 s PRO 361 Ca 0.27 1.79 -0.21 0.00 0.02 0.00 0.00 61.00 62.87 1g72 s PRO 361 Cb -0.05 -3.14 0.08 0.00 0.02 0.00 0.00 34.50 31.41 1g72 s PRO 361 CO 0.13 0.18 0.86 0.08 -0.33 0.00 0.00 177.00 177.92 1g72 s VAL 362 N -1.20 4.53 0.43 3.83 1.01 0.58 -4.91 120.40 124.68 1g72 s VAL 362 Ca 0.45 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 1g72 s VAL 362 Cb -0.31 -4.60 -0.08 0.00 0.00 0.00 0.00 36.38 31.38 1g72 s VAL 362 CO 0.40 -1.32 1.25 -0.13 0.00 0.00 0.00 175.10 175.30 1g72 s ARG 363 N 3.50 3.87 -0.36 2.72 0.52 -1.26 -0.66 118.95 127.28 1g72 s ARG 363 Ca 0.18 2.01 -0.07 0.00 -0.52 0.00 0.00 55.73 57.33 1g72 s ARG 363 Cb -0.20 -2.62 0.05 0.00 0.52 0.00 0.00 34.95 32.70 1g72 s ARG 363 CO 0.09 -0.53 0.14 0.34 0.02 0.00 0.00 175.30 175.36 1g72 s ASP 364 N -0.97 5.42 0.57 0.23 3.68 -0.93 -4.76 116.67 119.90 1g72 s ASP 364 Ca 0.60 -1.21 0.29 0.00 2.13 0.00 0.00 52.55 54.36 1g72 s ASP 364 Cb -0.35 -1.90 1.47 0.00 -1.45 0.00 0.00 42.92 40.69 1g72 s ASP 364 CO 0.43 -0.37 1.91 -0.65 0.13 0.00 0.00 175.17 176.63 1g72 h PRO 365 N 8.27 0.00 0.00 4.34 0.11 -1.94 -1.34 132.00 141.44 1g72 h PRO 365 Ca -0.23 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 1g72 h PRO 365 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1g72 h PRO 365 CO 0.64 0.00 -0.08 1.49 -0.21 0.00 0.00 178.00 179.83 1g72 h GLU 366 N 0.00 0.00 -0.04 1.05 4.81 -1.94 -3.01 114.58 115.44 1g72 h GLU 366 Ca 0.25 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1g72 h GLU 366 Cb 1.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1g72 h GLU 366 CO -0.00 0.08 -0.21 1.19 -0.73 0.00 0.00 179.01 179.34 1g72 n PHE 367 N -3.49 0.15 -2.14 0.92 3.01 -0.51 -4.81 117.46 110.58 1g72 n PHE 367 Ca -0.02 -1.25 -0.27 0.00 1.01 0.00 0.00 57.45 56.92 1g72 n PHE 367 Cb 0.22 -0.23 0.11 0.00 -0.01 0.00 0.00 39.48 39.57 1g72 n PHE 367 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1g72 s ALA 368 N -3.06 2.90 0.17 4.37 0.00 -1.14 -4.83 121.76 120.17 1g72 s ALA 368 Ca 0.36 -1.11 0.09 0.00 0.00 0.00 0.00 51.96 51.31 1g72 s ALA 368 Cb 0.33 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1g72 s ALA 368 CO -0.01 -1.72 -0.20 0.95 0.00 0.00 0.00 175.76 174.78 1g72 s THR 369 N -3.47 1.99 -0.23 0.00 -4.23 -1.26 -4.68 115.64 103.76 1g72 s THR 369 Ca 0.66 -1.93 -0.32 0.00 -1.18 0.00 0.00 61.69 58.91 1g72 s THR 369 Cb -0.08 -1.92 0.16 0.00 1.34 0.00 0.00 72.50 72.01 1g72 s THR 369 CO 0.48 -0.24 1.25 0.00 -0.54 0.00 0.00 174.62 175.58 1g72 s ARG 370 N -2.70 0.22 0.68 3.99 1.70 -1.26 -4.90 118.95 116.68 1g72 s ARG 370 Ca 0.17 -0.01 -0.17 0.00 -0.47 0.00 0.00 55.73 55.25 1g72 s ARG 370 Cb -0.07 0.10 -0.01 0.00 -0.57 0.00 0.00 34.95 34.40 1g72 s ARG 370 CO 0.08 -0.08 0.99 -1.33 -1.08 0.00 0.00 175.30 173.87 1g72 n MET 371 N 0.29 0.68 -2.64 3.89 2.81 -1.26 -2.97 117.12 117.92 1g72 n MET 371 Ca -0.01 0.28 -0.20 0.00 -1.81 0.00 0.00 57.70 55.96 1g72 n MET 371 Cb 0.58 -2.23 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 1g72 n MET 371 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1g72 n ASP 372 N -1.38 -5.61 -3.68 7.83 8.00 -1.26 -4.97 116.55 115.47 1g72 n ASP 372 Ca 0.14 -0.09 -0.14 0.00 0.71 0.00 0.00 54.79 55.40 1g72 n ASP 372 Cb 0.49 -4.64 -0.08 0.00 -0.02 0.00 0.00 41.12 36.87 1g72 n ASP 372 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1g72 s HIS 373 N -3.02 -0.47 -0.31 1.24 2.46 -1.16 -5.13 115.29 108.90 1g72 s HIS 373 Ca 0.11 1.01 -0.00 0.00 0.47 0.00 0.00 55.06 56.65 1g72 s HIS 373 Cb -0.05 0.21 0.06 0.00 -0.13 0.00 0.00 32.58 32.67 1g72 s HIS 373 CO 0.14 -0.37 0.00 0.21 -2.47 0.00 0.00 174.74 172.26 1g72 s LYS 374 N -0.46 2.24 0.28 2.88 2.20 -1.26 -4.41 119.74 121.22 1g72 s LYS 374 Ca -0.06 -1.41 -0.29 0.00 -0.36 0.00 0.00 55.97 53.85 1g72 s LYS 374 Cb -0.03 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.03 1g72 s LYS 374 CO 0.04 -0.69 1.01 0.20 -0.36 0.00 0.00 175.35 175.54 1g72 s GLY 375 N 1.25 3.02 0.12 5.54 0.00 0.40 -4.84 107.32 112.80 1g72 s GLY 375 Ca -0.03 0.72 0.07 0.00 0.00 0.00 0.00 44.72 45.49 1g72 s GLY 375 CO -0.03 1.27 -0.18 -0.51 0.00 0.00 0.00 173.10 173.65 1g72 s THR 376 N -1.28 1.58 -1.47 0.90 -4.23 -1.26 -0.35 115.64 109.53 1g72 s THR 376 Ca 0.45 -1.64 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 1g72 s THR 376 Cb -0.27 -1.56 0.06 0.00 1.34 0.00 0.00 72.50 72.08 1g72 s THR 376 CO 0.34 -0.22 0.95 0.59 -0.54 0.00 0.00 174.62 175.74 1g72 n ASN 377 N 0.81 -4.18 -4.70 3.99 3.02 -0.96 -4.95 115.26 108.29 1g72 n ASN 377 Ca -0.17 -0.76 -0.40 0.00 -0.03 0.00 0.00 54.58 53.21 1g72 n ASN 377 Cb 0.55 -4.05 -0.05 0.00 -0.61 0.00 0.00 39.78 35.63 1g72 n ASN 377 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1g72 s ILE 378 N -3.38 4.99 -0.05 2.41 1.01 0.17 -4.84 121.20 121.51 1g72 s ILE 378 Ca 0.51 1.47 0.03 0.00 0.00 0.00 0.00 60.65 62.66 1g72 s ILE 378 Cb -0.25 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.17 1g72 s ILE 378 CO 0.82 0.17 -0.12 0.00 0.00 0.00 0.00 174.94 175.80 1g72 s PRO 380 N 0.47 2.24 0.99 0.00 0.02 -1.26 -1.24 135.00 136.22 1g72 s PRO 380 Ca -0.10 0.39 -0.16 0.00 0.02 0.00 0.00 61.00 61.14 1g72 s PRO 380 Cb -0.14 -1.96 0.21 0.00 0.02 0.00 0.00 34.50 32.64 1g72 s PRO 380 CO 0.03 -1.45 1.29 -1.54 -0.33 0.00 0.00 177.00 175.00 1g72 s SER 381 N -4.27 2.84 0.56 2.53 1.04 -0.35 -4.76 113.70 111.29 1g72 s SER 381 Ca 0.60 0.33 0.25 0.00 0.48 0.00 0.00 55.95 57.61 1g72 s SER 381 Cb -0.12 -0.40 1.60 0.00 0.10 0.00 0.00 66.02 67.19 1g72 s SER 381 CO 0.52 -2.91 2.20 0.00 0.98 0.00 0.00 173.24 174.03 1g72 h ALA 382 N -1.76 1.67 0.00 5.32 0.00 -1.87 0.24 119.26 122.86 1g72 h ALA 382 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1g72 h ALA 382 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1g72 h ALA 382 CO 0.38 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 178.32 1g72 n MET 383 N -4.08 0.14 -0.44 0.00 2.81 -1.26 -4.70 117.12 109.59 1g72 n MET 383 Ca -0.03 0.30 0.06 0.00 -1.81 0.00 0.00 57.70 56.22 1g72 n MET 383 Cb 0.10 -1.73 -0.02 0.00 -0.71 0.00 0.00 33.22 30.85 1g72 n MET 383 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1g72 n GLY 384 N 0.41 -2.17 0.44 3.03 0.00 0.83 -4.36 105.19 103.37 1g72 n GLY 384 Ca 0.04 -1.38 0.12 0.00 0.00 0.00 0.00 46.02 44.80 1g72 n GLY 384 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1g72 n PHE 385 N -3.05 0.09 -3.64 1.61 3.01 -1.02 -4.53 117.46 109.93 1g72 n PHE 385 Ca -0.01 -0.04 -0.08 0.00 1.01 0.00 0.00 57.45 58.32 1g72 n PHE 385 Cb 0.21 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.61 1g72 n PHE 385 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1g72 s HIS 386 N -1.91 -0.88 0.00 1.38 2.46 -1.26 -1.04 115.29 114.05 1g72 s HIS 386 Ca 0.36 1.86 0.00 0.00 0.47 0.00 0.00 55.06 57.75 1g72 s HIS 386 Cb 0.19 0.48 0.00 0.00 -0.13 0.00 0.00 32.58 33.12 1g72 s HIS 386 CO 0.30 -0.43 0.00 -1.71 -2.47 0.00 0.00 174.74 170.43 1g72 n ASN 387 N 3.63 0.00 0.00 9.88 2.85 -1.26 -3.96 115.26 126.41 1g72 n ASN 387 Ca -0.18 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.32 1g72 n ASN 387 Cb 0.57 0.00 0.17 0.00 1.24 0.00 0.00 39.78 41.76 1g72 n ASN 387 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1g72 n GLN 388 N 0.00 0.23 -1.80 1.20 -0.00 -1.26 -4.78 117.38 110.96 1g72 n GLN 388 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.00 56.63 1g72 n GLN 388 Cb 0.00 -1.39 0.06 0.00 -0.00 0.00 0.00 30.24 28.91 1g72 n GLN 388 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1g72 s GLY 389 N -1.95 2.84 -0.31 2.61 0.00 -1.12 -4.93 107.32 104.48 1g72 s GLY 389 Ca 0.08 1.19 -0.07 0.00 0.00 0.00 0.00 44.72 45.93 1g72 s GLY 389 CO 0.06 1.63 0.10 0.14 0.00 0.00 0.00 173.10 175.03 1g72 s VAL 390 N -1.42 4.01 0.64 1.40 1.01 -0.69 -4.63 120.40 120.71 1g72 s VAL 390 Ca 0.80 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1g72 s VAL 390 Cb -0.37 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 32.95 1g72 s VAL 390 CO 0.39 0.01 0.90 -1.81 0.00 0.00 0.00 175.10 174.60 1g72 s ASP 391 N 1.49 5.01 0.21 3.32 1.01 -1.26 -0.72 116.67 125.73 1g72 s ASP 391 Ca 0.02 0.22 0.10 0.00 0.71 0.00 0.00 52.55 53.60 1g72 s ASP 391 Cb -0.18 -0.97 -0.05 0.00 1.01 0.00 0.00 42.92 42.74 1g72 s ASP 391 CO 0.03 -1.40 -0.19 -0.94 0.21 0.00 0.00 175.17 172.88 1g72 s SER 392 N -4.48 3.07 -0.05 0.27 1.04 -1.19 -4.35 113.70 108.00 1g72 s SER 392 Ca 0.59 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 56.12 1g72 s SER 392 Cb -0.10 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1g72 s SER 392 CO 0.42 -0.01 -0.15 -0.47 0.98 0.00 0.00 173.24 174.01 1g72 s TYR 393 N -2.25 1.59 -0.40 5.02 5.04 -0.61 -0.55 117.35 125.19 1g72 s TYR 393 Ca 0.22 -0.49 -0.13 0.00 -2.44 0.00 0.00 57.07 54.23 1g72 s TYR 393 Cb -0.05 -1.09 0.03 0.00 0.35 0.00 0.00 41.96 41.19 1g72 s TYR 393 CO 0.10 -0.19 0.26 0.34 -1.34 0.00 0.00 175.55 174.71 1g72 s ASP 394 N 0.21 5.93 0.58 4.32 2.15 0.25 -4.70 116.67 125.42 1g72 s ASP 394 Ca -0.07 -0.97 0.34 0.00 0.43 0.00 0.00 52.55 52.29 1g72 s ASP 394 Cb -0.12 -2.09 1.77 0.00 -0.30 0.00 0.00 42.92 42.18 1g72 s ASP 394 CO 0.03 -0.43 2.16 1.55 -0.17 0.00 0.00 175.17 178.31 1g72 h PRO 395 N 8.54 0.00 0.10 4.34 0.13 -1.96 0.28 132.00 143.43 1g72 h PRO 395 Ca -0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1g72 h PRO 395 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1g72 h PRO 395 CO 0.70 0.05 -0.05 0.93 -0.23 0.00 0.00 178.00 179.41 1g72 h GLU 396 N 0.00 -0.13 -0.00 0.86 5.08 -1.97 -3.30 114.58 115.11 1g72 h GLU 396 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1g72 h GLU 396 Cb 0.24 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1g72 h GLU 396 CO 0.01 0.38 -0.30 -1.13 -1.00 0.00 0.00 179.01 176.97 1g72 n SER 397 N -4.84 0.75 -3.41 1.42 3.41 -1.22 -4.97 113.62 104.77 1g72 n SER 397 Ca -0.07 -0.60 -0.21 0.00 -0.26 0.00 0.00 58.87 57.73 1g72 n SER 397 Cb 0.28 0.11 0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1g72 n SER 397 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1g72 n ARG 398 N -0.98 -1.97 -4.45 4.33 1.74 0.94 -5.02 116.66 111.26 1g72 n ARG 398 Ca 0.10 0.72 -0.20 0.00 -0.77 0.00 0.00 57.85 57.70 1g72 n ARG 398 Cb 0.33 -5.23 -0.15 0.00 -1.02 0.00 0.00 32.46 26.39 1g72 n ARG 398 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1g72 s THR 399 N -3.42 0.84 -0.18 0.55 2.01 -0.95 -4.51 115.64 109.98 1g72 s THR 399 Ca 0.46 -0.43 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 1g72 s THR 399 Cb -0.10 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1g72 s THR 399 CO 0.78 0.24 0.05 -0.22 -0.69 0.00 0.00 174.62 174.79 1g72 s LEU 400 N -0.11 3.70 -0.50 4.42 2.96 -0.59 -0.58 118.68 127.98 1g72 s LEU 400 Ca 0.02 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.82 1g72 s LEU 400 Cb -0.06 -1.94 0.11 0.00 0.50 0.00 0.00 46.19 44.81 1g72 s LEU 400 CO -0.00 0.15 0.41 -0.31 -1.32 0.00 0.00 176.35 175.28 1g72 s TYR 401 N 0.49 3.31 -0.08 5.38 1.51 0.29 -0.81 117.35 127.44 1g72 s TYR 401 Ca 0.02 -1.42 -0.13 0.00 -1.01 0.00 0.00 57.07 54.53 1g72 s TYR 401 Cb -0.13 -3.51 -0.05 0.00 -0.11 0.00 0.00 41.96 38.16 1g72 s TYR 401 CO 0.01 -0.96 0.32 0.00 -1.11 0.00 0.00 175.55 173.82 1g72 s ALA 402 N 1.52 3.69 -0.38 3.71 0.00 -0.49 -3.37 121.76 126.44 1g72 s ALA 402 Ca 0.04 -0.37 -0.16 0.00 0.00 0.00 0.00 51.96 51.46 1g72 s ALA 402 Cb -0.27 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.54 1g72 s ALA 402 CO 0.02 0.37 0.40 0.20 0.00 0.00 0.00 175.76 176.76 1g72 s GLY 403 N -0.51 1.90 0.35 0.00 0.00 -1.26 -0.82 107.32 106.97 1g72 s GLY 403 Ca 0.20 -1.36 0.08 0.00 0.00 0.00 0.00 44.72 43.64 1g72 s GLY 403 CO 0.08 1.09 0.13 1.08 0.00 0.00 0.00 173.10 175.48 1g72 s LEU 404 N 2.08 3.22 0.06 0.66 1.43 0.14 -4.73 118.68 121.54 1g72 s LEU 404 Ca 0.12 -0.82 0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1g72 s LEU 404 Cb -0.17 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1g72 s LEU 404 CO 0.13 -0.32 -0.16 0.20 0.23 0.00 0.00 176.35 176.43 1g72 s ASN 405 N -3.84 3.94 -0.62 2.29 0.01 -0.20 -2.07 114.94 114.45 1g72 s ASN 405 Ca 0.38 -0.43 0.05 0.00 -0.71 0.00 0.00 52.86 52.15 1g72 s ASN 405 Cb -0.02 -0.65 0.18 0.00 0.41 0.00 0.00 41.25 41.17 1g72 s ASN 405 CO 0.22 0.23 0.48 1.57 -1.51 0.00 0.00 177.10 178.10 1g72 n HIS 406 N 1.30 2.10 -4.07 2.20 -0.00 0.80 -4.35 115.22 113.19 1g72 n HIS 406 Ca -0.16 -4.02 -0.17 0.00 0.46 0.00 0.00 57.72 53.84 1g72 n HIS 406 Cb 0.52 -0.38 -0.15 0.00 -0.12 0.00 0.00 29.99 29.86 1g72 n HIS 406 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1g72 s ILE 407 N -1.17 0.34 0.35 3.57 1.01 -1.26 -0.85 121.20 123.18 1g72 s ILE 407 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1g72 s ILE 407 Cb 0.01 -0.35 -0.00 0.00 0.01 0.00 0.00 42.46 42.13 1g72 s ILE 407 CO -0.16 0.14 0.01 0.00 0.00 0.00 0.00 174.94 174.93 1g72 s MET 409 N -3.29 1.85 0.06 0.00 0.23 0.08 -1.87 119.30 116.37 1g72 s MET 409 Ca 0.02 -1.09 0.07 0.00 -1.03 0.00 0.00 55.69 53.65 1g72 s MET 409 Cb 0.00 0.60 -0.04 0.00 -1.53 0.00 0.00 34.83 33.87 1g72 s MET 409 CO 0.01 -0.85 -0.15 -0.51 -2.03 0.00 0.00 175.02 171.49 1g72 s ASP 410 N -2.96 4.01 -0.15 -1.18 -0.00 -0.18 -0.66 116.67 115.57 1g72 s ASP 410 Ca 0.13 -0.41 -0.10 0.00 -0.00 0.00 0.00 52.55 52.16 1g72 s ASP 410 Cb -0.05 -0.69 0.05 0.00 -0.00 0.00 0.00 42.92 42.22 1g72 s ASP 410 CO 0.08 0.23 0.37 0.86 -0.00 0.00 0.00 175.17 176.71 1g72 s TRP 411 N -1.03 -0.48 -0.07 4.23 -0.11 0.52 -2.42 118.94 119.58 1g72 s TRP 411 Ca 0.17 1.08 -0.03 0.00 1.22 0.00 0.00 56.10 58.54 1g72 s TRP 411 Cb -0.11 0.18 0.04 0.00 -1.50 0.00 0.00 33.47 32.08 1g72 s TRP 411 CO 0.08 -0.27 0.14 -2.00 -4.62 0.00 0.00 176.95 170.28 1g72 s GLU 412 N 0.90 0.04 0.69 5.86 2.12 -0.90 -0.45 118.70 126.96 1g72 s GLU 412 Ca -0.06 0.45 -0.05 0.00 0.36 0.00 0.00 54.97 55.68 1g72 s GLU 412 Cb -0.06 -0.25 0.07 0.00 0.26 0.00 0.00 34.13 34.15 1g72 s GLU 412 CO -0.07 -0.24 0.98 -1.25 -0.54 0.00 0.00 175.26 174.13 1g72 s PRO 413 N 1.77 2.12 -0.00 4.30 0.04 -1.26 -0.45 135.00 141.51 1g72 s PRO 413 Ca -0.02 -0.48 -0.15 0.00 0.04 0.00 0.00 61.00 60.38 1g72 s PRO 413 Cb -0.12 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.21 1g72 s PRO 413 CO -0.05 -1.22 0.33 -0.59 0.04 0.00 0.00 177.00 175.50 1g72 s PHE 414 N -3.17 -0.19 0.45 0.56 -0.12 -0.75 -4.65 117.98 110.12 1g72 s PHE 414 Ca 0.61 0.25 -0.22 0.00 -0.05 0.00 0.00 56.93 57.52 1g72 s PHE 414 Cb -0.10 0.11 -0.08 0.00 -0.63 0.00 0.00 43.02 42.32 1g72 s PHE 414 CO 0.44 -0.42 1.08 -1.64 -0.05 0.00 0.00 175.22 174.62 1g72 s MET 415 N -1.56 3.89 -0.02 1.99 -1.94 -1.26 -4.63 119.30 115.77 1g72 s MET 415 Ca -0.12 1.53 -0.29 0.00 -1.71 0.00 0.00 55.69 55.10 1g72 s MET 415 Cb -0.04 -2.32 0.10 0.00 2.01 0.00 0.00 34.83 34.57 1g72 s MET 415 CO 0.03 -0.38 0.82 -0.48 -0.01 0.00 0.00 175.02 175.00 1g72 s LEU 416 N -3.09 -0.46 0.43 -0.03 2.34 -1.26 -5.03 118.68 111.56 1g72 s LEU 416 Ca 0.63 0.25 -0.01 0.00 0.06 0.00 0.00 54.13 55.06 1g72 s LEU 416 Cb -0.22 2.20 -0.02 0.00 -0.56 0.00 0.00 46.19 47.59 1g72 s LEU 416 CO 0.26 -0.61 0.66 -2.16 -1.06 0.00 0.00 176.35 173.44 1g72 s PRO 417 N -2.34 3.30 -0.15 1.48 0.04 -1.26 -5.08 135.00 131.00 1g72 s PRO 417 Ca -0.01 -0.27 -0.14 0.00 0.04 0.00 0.00 61.00 60.62 1g72 s PRO 417 Cb -0.01 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 1g72 s PRO 417 CO -0.03 -0.13 0.30 -0.47 0.04 0.00 0.00 177.00 176.71 1g72 s TYR 418 N -2.53 3.49 -0.11 0.56 5.04 -1.26 -4.92 117.35 117.62 1g72 s TYR 418 Ca 0.45 0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 55.68 1g72 s TYR 418 Cb -0.10 -2.32 0.05 0.00 0.35 0.00 0.00 41.96 39.94 1g72 s TYR 418 CO 0.39 0.29 0.07 1.03 -1.34 0.00 0.00 175.55 175.99 1g72 s ARG 419 N 0.28 0.11 -0.00 4.97 1.81 -1.26 -5.11 118.95 119.75 1g72 s ARG 419 Ca 0.17 0.09 -0.36 0.00 -1.72 0.00 0.00 55.73 53.90 1g72 s ARG 419 Cb -0.13 -1.26 -0.15 0.00 -0.45 0.00 0.00 34.95 32.96 1g72 s ARG 419 CO 0.05 -0.50 1.57 0.00 -0.68 0.00 0.00 175.30 175.74 1g72 n ALA 420 N 5.25 0.07 -0.01 2.13 0.00 -1.26 -0.84 120.51 125.85 1g72 n ALA 420 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1g72 n ALA 420 Cb 0.49 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1g72 n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g72 n GLY 421 N 3.40 0.43 3.68 0.00 0.00 -1.25 -4.87 105.19 106.59 1g72 n GLY 421 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1g72 n GLY 421 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g72 s GLN 422 N -0.86 2.45 0.51 1.61 -1.52 -0.02 -4.75 119.66 117.09 1g72 s GLN 422 Ca 0.00 -1.16 -0.22 0.00 -1.95 0.00 0.00 55.36 52.03 1g72 s GLN 422 Cb 0.00 -2.35 -0.06 0.00 -0.22 0.00 0.00 33.01 30.39 1g72 s GLN 422 CO 0.00 0.43 1.25 -0.06 -0.25 0.00 0.00 175.29 176.66 1g72 s PHE 423 N -1.91 2.57 -0.41 0.91 0.40 -1.26 -4.66 117.98 113.61 1g72 s PHE 423 Ca 0.29 1.47 0.10 0.00 -0.60 0.00 0.00 56.93 58.19 1g72 s PHE 423 Cb -0.08 -3.57 0.34 0.00 0.51 0.00 0.00 43.02 40.22 1g72 s PHE 423 CO 0.20 -2.17 0.75 0.34 0.70 0.00 0.00 175.22 175.04 1g72 n PHE 424 N -0.86 0.90 -0.01 0.36 7.35 0.11 -4.86 117.46 120.46 1g72 n PHE 424 Ca 0.09 -3.84 -0.01 0.00 -0.76 0.00 0.00 57.45 52.94 1g72 n PHE 424 Cb 0.47 -0.43 -0.00 0.00 0.35 0.00 0.00 39.48 39.87 1g72 n PHE 424 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1g72 n VAL 425 N 0.28 0.25 -2.62 -2.13 0.31 -1.25 -4.21 118.33 108.95 1g72 n VAL 425 Ca 0.26 0.45 -0.06 0.00 -0.01 0.00 0.00 64.34 64.98 1g72 n VAL 425 Cb 0.60 -1.65 0.02 0.00 -0.91 0.00 0.00 33.84 31.90 1g72 n VAL 425 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1g72 n GLY 426 N 1.69 0.41 3.60 2.92 0.00 -1.26 -0.73 105.19 111.82 1g72 n GLY 426 Ca -0.01 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1g72 n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g72 s ALA 427 N -3.09 -1.80 -0.16 4.61 0.00 -1.26 -1.80 121.76 118.26 1g72 s ALA 427 Ca 0.09 1.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.88 1g72 s ALA 427 Cb -0.04 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1g72 s ALA 427 CO 0.20 -0.34 -0.10 0.99 0.00 0.00 0.00 175.76 176.51 1g72 s THR 428 N -0.03 3.24 0.26 0.00 2.01 0.40 -4.97 115.64 116.56 1g72 s THR 428 Ca -0.02 -0.58 0.10 0.00 0.31 0.00 0.00 61.69 61.50 1g72 s THR 428 Cb -0.04 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 1g72 s THR 428 CO 0.02 0.50 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.53 1g72 s LEU 429 N 0.64 2.58 -0.05 4.42 1.02 -1.26 -2.11 118.68 123.91 1g72 s LEU 429 Ca -0.05 -1.05 -0.01 0.00 0.02 0.00 0.00 54.13 53.04 1g72 s LEU 429 Cb -0.15 -0.92 0.03 0.00 0.02 0.00 0.00 46.19 45.16 1g72 s LEU 429 CO 0.03 -0.07 0.00 0.00 0.02 0.00 0.00 176.35 176.32 1g72 s ALA 430 N -2.70 0.53 0.11 4.21 0.00 -1.02 -4.43 121.76 118.46 1g72 s ALA 430 Ca 0.28 0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.35 1g72 s ALA 430 Cb -0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1g72 s ALA 430 CO 0.12 -0.28 -0.27 -1.64 0.00 0.00 0.00 175.76 173.70 1g72 s MET 431 N 1.55 1.48 0.25 0.00 -1.94 -1.24 -1.01 119.30 118.40 1g72 s MET 431 Ca -0.02 -1.28 -0.20 0.00 -1.71 0.00 0.00 55.69 52.48 1g72 s MET 431 Cb -0.13 -1.89 0.02 0.00 2.01 0.00 0.00 34.83 34.84 1g72 s MET 431 CO -0.03 0.46 0.65 1.52 -0.01 0.00 0.00 175.02 177.61 1g72 s TYR 432 N -1.00 -0.15 0.61 -0.03 -0.85 -0.78 -3.57 117.35 111.57 1g72 s TYR 432 Ca 0.13 -0.25 -0.19 0.00 -0.52 0.00 0.00 57.07 56.24 1g72 s TYR 432 Cb -0.10 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.78 1g72 s TYR 432 CO 0.05 -1.12 1.08 -2.30 -1.52 0.00 0.00 175.55 171.74 1g72 n PRO 433 N -0.42 1.02 -1.22 -3.49 -0.02 -1.26 -0.80 135.00 128.80 1g72 n PRO 433 Ca -0.06 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.52 1g72 n PRO 433 Cb 0.61 -2.29 0.21 0.00 -0.02 0.00 0.00 33.50 32.01 1g72 n PRO 433 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1g72 s GLY 434 N -1.25 1.59 0.00 -1.23 0.00 -0.03 -4.47 107.32 101.93 1g72 s GLY 434 Ca 0.77 -0.78 0.27 0.00 0.00 0.00 0.00 44.72 44.99 1g72 s GLY 434 CO 0.46 -0.00 1.69 -1.55 0.00 0.00 0.00 173.10 173.69 1g72 n PRO 435 N -4.44 0.36 0.00 2.90 -0.04 -1.26 -4.33 135.00 128.20 1g72 n PRO 435 Ca 0.10 -0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.53 1g72 n PRO 435 Cb 0.59 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.81 1g72 n PRO 435 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1g72 n ASN 436 N -1.18 1.68 -4.74 3.54 5.03 -1.26 -4.80 115.26 113.53 1g72 n ASN 436 Ca 0.10 -1.34 -0.36 0.00 0.87 0.00 0.00 54.58 53.84 1g72 n ASN 436 Cb 0.32 0.19 0.05 0.00 -1.02 0.00 0.00 39.78 39.32 1g72 n ASN 436 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1g72 s GLY 437 N -2.33 2.76 0.37 7.41 0.00 -1.26 -4.87 107.32 109.40 1g72 s GLY 437 Ca 0.26 1.08 0.17 0.00 0.00 0.00 0.00 44.72 46.22 1g72 s GLY 437 CO 0.47 1.48 1.72 -2.55 0.00 0.00 0.00 173.10 174.22 1g72 h PRO 438 N 0.69 0.38 0.00 2.90 0.11 -1.94 0.24 132.00 134.38 1g72 h PRO 438 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1g72 h PRO 438 Cb 1.31 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1g72 h PRO 438 CO 0.54 0.25 -0.01 0.25 -0.21 0.00 0.00 178.00 178.82 1g72 n THR 439 N -4.79 1.55 -1.82 -1.15 -2.24 -1.26 -4.98 114.28 99.59 1g72 n THR 439 Ca 0.29 -1.80 -0.20 0.00 -2.27 0.00 0.00 64.05 60.06 1g72 n THR 439 Cb 0.94 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 1g72 n THR 439 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1g72 n LYS 440 N -1.10 -1.53 0.00 -0.78 5.02 0.07 -4.78 118.16 115.07 1g72 n LYS 440 Ca 0.11 1.12 0.00 0.00 -2.02 0.00 0.00 58.31 57.52 1g72 n LYS 440 Cb 0.52 -5.58 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 1g72 n LYS 440 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1g72 n LYS 441 N -2.52 2.33 -2.09 1.97 5.02 -1.26 -4.82 118.16 116.79 1g72 n LYS 441 Ca -0.21 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.67 1g72 n LYS 441 Cb 0.66 -0.78 -0.02 0.00 -0.02 0.00 0.00 35.03 34.87 1g72 n LYS 441 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1g72 s GLU 442 N -1.46 4.32 0.00 1.97 8.01 -1.26 -4.81 118.70 125.47 1g72 s GLU 442 Ca 0.00 2.23 0.01 0.00 0.01 0.00 0.00 54.97 57.22 1g72 s GLU 442 Cb 0.00 -3.10 0.01 0.00 -4.31 0.00 0.00 34.13 26.73 1g72 s GLU 442 CO 0.00 -0.30 0.73 -1.33 0.01 0.00 0.00 175.26 174.38 1g72 n MET 443 N 1.70 0.74 -4.17 1.61 2.81 -0.26 -4.31 117.12 115.24 1g72 n MET 443 Ca 0.04 -0.96 -0.16 0.00 -1.81 0.00 0.00 57.70 54.80 1g72 n MET 443 Cb 0.41 -1.02 -0.11 0.00 -0.71 0.00 0.00 33.22 31.79 1g72 n MET 443 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1g72 s GLY 444 N -0.46 0.84 -0.04 3.03 0.00 -0.74 -0.14 107.32 109.81 1g72 s GLY 444 Ca 0.01 -1.08 -0.14 0.00 0.00 0.00 0.00 44.72 43.51 1g72 s GLY 444 CO 0.01 -1.13 0.32 1.20 0.00 0.00 0.00 173.10 173.49 1g72 s GLN 445 N -2.25 0.60 -0.25 2.90 -0.21 -0.88 -0.52 119.66 119.05 1g72 s GLN 445 Ca 0.01 -0.02 0.00 0.00 0.02 0.00 0.00 55.36 55.37 1g72 s GLN 445 Cb -0.07 0.27 0.04 0.00 1.00 0.00 0.00 33.01 34.25 1g72 s GLN 445 CO 0.01 -0.15 -0.09 0.42 -2.12 0.00 0.00 175.29 173.37 1g72 s ILE 446 N -0.94 2.56 -0.07 1.08 -1.09 -0.25 0.26 121.20 122.76 1g72 s ILE 446 Ca -0.10 -1.22 0.02 0.00 -2.23 0.00 0.00 60.65 57.12 1g72 s ILE 446 Cb -0.05 -2.34 0.01 0.00 -1.58 0.00 0.00 42.46 38.50 1g72 s ILE 446 CO 0.03 0.16 -0.13 -0.60 -1.23 0.00 0.00 174.94 173.17 1g72 s ARG 447 N 1.25 1.79 -0.04 2.79 3.52 -0.00 -1.20 118.95 127.06 1g72 s ARG 447 Ca -0.02 -0.44 -0.22 0.00 -0.13 0.00 0.00 55.73 54.92 1g72 s ARG 447 Cb -0.17 -1.48 -0.04 0.00 -1.56 0.00 0.00 34.95 31.69 1g72 s ARG 447 CO -0.06 0.02 0.64 0.00 -0.81 0.00 0.00 175.30 175.09 1g72 s ALA 448 N 0.71 3.41 0.14 6.12 0.00 -0.92 -1.40 121.76 129.81 1g72 s ALA 448 Ca -0.14 0.07 0.08 0.00 0.00 0.00 0.00 51.96 51.97 1g72 s ALA 448 Cb -0.16 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1g72 s ALA 448 CO 0.03 0.02 -0.19 -0.06 0.00 0.00 0.00 175.76 175.56 1g72 s PHE 449 N 0.36 1.75 -0.27 0.00 0.08 0.01 -0.23 117.98 119.68 1g72 s PHE 449 Ca 0.34 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 56.82 1g72 s PHE 449 Cb -0.18 -0.91 -0.05 0.00 -0.57 0.00 0.00 43.02 41.31 1g72 s PHE 449 CO 0.17 0.26 0.20 0.34 -0.10 0.00 0.00 175.22 176.10 1g72 s ASP 450 N -2.35 6.07 0.28 1.36 2.15 -0.33 -1.54 116.67 122.31 1g72 s ASP 450 Ca 0.11 0.05 0.25 0.00 0.43 0.00 0.00 52.55 53.39 1g72 s ASP 450 Cb -0.07 -2.13 0.92 0.00 -0.30 0.00 0.00 42.92 41.34 1g72 s ASP 450 CO 0.05 -0.04 1.76 -0.07 -0.17 0.00 0.00 175.17 176.70 1g72 h LEU 451 N 8.22 0.00 0.00 -1.34 3.38 -1.89 0.27 115.31 123.96 1g72 h LEU 451 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1g72 h LEU 451 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1g72 h LEU 451 CO 0.58 0.00 -0.77 0.71 0.09 0.00 0.00 178.44 179.05 1g72 h THR 452 N 0.00 0.00 0.00 0.22 1.35 -1.93 -3.38 112.91 109.17 1g72 h THR 452 Ca 0.00 -0.99 -0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1g72 h THR 452 Cb 0.55 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1g72 h THR 452 CO 0.00 0.00 -1.03 0.35 -0.25 0.00 0.00 175.52 174.59 1g72 n THR 453 N -2.76 0.01 -1.00 6.82 -2.24 -1.20 -4.89 114.28 109.01 1g72 n THR 453 Ca 0.01 -0.02 -0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1g72 n THR 453 Cb 0.54 0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1g72 n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g72 n GLY 454 N 2.56 0.47 3.86 3.38 0.00 0.94 -4.92 105.19 111.48 1g72 n GLY 454 Ca -0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1g72 n GLY 454 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g72 s LYS 455 N -0.50 3.87 0.30 1.61 -0.14 -1.22 -4.83 119.74 118.83 1g72 s LYS 455 Ca 0.00 0.33 -0.17 0.00 -1.36 0.00 0.00 55.97 54.77 1g72 s LYS 455 Cb 0.00 -2.92 -0.09 0.00 -1.68 0.00 0.00 37.83 33.14 1g72 s LYS 455 CO 0.00 0.49 0.76 0.00 -0.76 0.00 0.00 175.35 175.83 1g72 s ALA 456 N -1.49 3.32 -0.22 5.17 0.00 -1.26 -1.19 121.76 126.09 1g72 s ALA 456 Ca 0.37 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.48 1g72 s ALA 456 Cb -0.14 -2.83 -0.15 0.00 0.00 0.00 0.00 23.12 20.00 1g72 s ALA 456 CO 0.19 0.31 -0.18 1.63 0.00 0.00 0.00 175.76 177.71 1g72 n LYS 457 N -0.03 0.58 -3.67 0.00 5.02 0.69 -4.95 118.16 115.80 1g72 n LYS 457 Ca 0.02 0.12 -0.09 0.00 -2.02 0.00 0.00 58.31 56.34 1g72 n LYS 457 Cb 0.52 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 1g72 n LYS 457 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 1g72 s TRP 458 N -2.43 -0.34 -0.02 2.13 1.48 -1.26 -5.01 118.94 113.49 1g72 s TRP 458 Ca -0.28 -0.01 -0.02 0.00 -1.06 0.00 0.00 56.10 54.72 1g72 s TRP 458 Cb 0.07 0.65 0.01 0.00 -1.16 0.00 0.00 33.47 33.04 1g72 s TRP 458 CO 0.51 -1.07 0.06 0.99 -4.06 0.00 0.00 176.95 173.38 1g72 s THR 459 N -3.84 -0.01 -0.10 0.66 2.01 -1.26 -2.18 115.64 110.93 1g72 s THR 459 Ca 0.07 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1g72 s THR 459 Cb -0.04 -0.10 0.01 0.00 0.01 0.00 0.00 72.50 72.38 1g72 s THR 459 CO -0.02 0.01 -0.18 -0.75 -0.69 0.00 0.00 174.62 172.99 1g72 s LYS 460 N 0.16 2.47 0.14 4.92 2.20 -0.34 -4.98 119.74 124.32 1g72 s LYS 460 Ca -0.01 -0.67 -0.12 0.00 -0.36 0.00 0.00 55.97 54.81 1g72 s LYS 460 Cb -0.02 -1.97 -0.07 0.00 -1.51 0.00 0.00 37.83 34.27 1g72 s LYS 460 CO -0.00 0.06 0.50 -1.58 -0.36 0.00 0.00 175.35 173.97 1g72 s TRP 461 N 0.64 3.56 0.07 4.03 0.52 -1.26 -1.09 118.94 125.41 1g72 s TRP 461 Ca -0.13 0.93 0.07 0.00 0.02 0.00 0.00 56.10 56.99 1g72 s TRP 461 Cb -0.16 -2.28 -0.03 0.00 -1.15 0.00 0.00 33.47 29.85 1g72 s TRP 461 CO 0.04 0.42 -0.18 -1.21 0.02 0.00 0.00 176.95 176.04 1g72 s GLU 462 N -2.13 1.08 0.12 4.98 0.41 0.32 -4.94 118.70 118.54 1g72 s GLU 462 Ca 0.38 -0.97 -0.19 0.00 -0.41 0.00 0.00 54.97 53.78 1g72 s GLU 462 Cb -0.14 -1.20 -0.06 0.00 -1.78 0.00 0.00 34.13 30.95 1g72 s GLU 462 CO 0.19 0.29 1.75 -0.22 -0.49 0.00 0.00 175.26 176.79 1g72 h LYS 463 N 4.51 0.33 -6.19 1.61 3.64 -1.94 -1.94 116.57 116.58 1g72 h LYS 463 Ca -0.42 -0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 58.43 1g72 h LYS 463 Cb 1.18 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 1g72 h LYS 463 CO 0.42 0.25 -0.47 -0.06 -2.27 0.00 0.00 179.45 177.32 1g72 s PHE 464 N -6.04 2.92 0.46 1.91 0.40 -1.26 -1.10 117.98 115.27 1g72 s PHE 464 Ca -0.13 -0.27 -0.24 0.00 -0.60 0.00 0.00 56.93 55.69 1g72 s PHE 464 Cb 0.09 -1.70 -0.08 0.00 0.51 0.00 0.00 43.02 41.83 1g72 s PHE 464 CO 0.70 0.27 1.29 0.00 0.70 0.00 0.00 175.22 178.18 1g72 n ALA 465 N -1.31 1.37 -2.83 5.36 0.00 -1.22 -2.86 120.51 119.02 1g72 n ALA 465 Ca -0.03 0.22 -0.44 0.00 0.00 0.00 0.00 53.44 53.19 1g72 n ALA 465 Cb 0.59 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1g72 n ALA 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g72 n ALA 466 N -0.44 3.90 0.00 0.00 0.00 -1.08 -4.40 120.51 118.49 1g72 n ALA 466 Ca 0.07 -4.17 -0.10 0.00 0.00 0.00 0.00 53.44 49.24 1g72 n ALA 466 Cb 0.41 -3.17 0.03 0.00 0.00 0.00 0.00 19.45 16.73 1g72 n ALA 466 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1g72 h TRP 467 N 7.14 0.73 0.09 0.00 2.91 -1.86 -3.37 115.95 121.58 1g72 h TRP 467 Ca 0.35 -0.27 -0.26 0.00 1.13 0.00 0.00 58.89 59.84 1g72 h TRP 467 Cb 0.86 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.38 1g72 h TRP 467 CO 1.18 1.02 -1.13 0.78 -1.03 0.00 0.00 178.44 179.26 1g72 h GLY 468 N 1.03 0.34 0.00 2.65 0.00 -1.77 -2.95 103.07 102.37 1g72 h GLY 468 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1g72 h GLY 468 CO 0.11 0.67 0.00 0.61 0.00 0.00 0.00 176.54 177.94 1g72 n GLY 469 N 1.32 -0.13 3.08 4.60 0.00 -1.26 -1.71 105.19 111.10 1g72 n GLY 469 Ca -0.08 -2.23 -0.07 0.00 0.00 0.00 0.00 46.02 43.64 1g72 n GLY 469 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g72 s THR 470 N 0.00 0.22 -0.03 2.61 -4.23 0.11 -4.40 115.64 109.92 1g72 s THR 470 Ca 0.00 -1.72 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 1g72 s THR 470 Cb 0.00 -1.40 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 1g72 s THR 470 CO 0.00 -0.95 -0.20 -0.22 -0.54 0.00 0.00 174.62 172.71 1g72 s LEU 471 N -2.78 2.00 -0.10 4.79 2.96 0.41 -3.20 118.68 122.77 1g72 s LEU 471 Ca 0.05 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1g72 s LEU 471 Cb 0.06 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.65 1g72 s LEU 471 CO -0.09 0.22 -0.18 -0.47 -1.32 0.00 0.00 176.35 174.51 1g72 s TYR 472 N -0.26 2.68 -0.01 5.38 5.04 -1.19 -0.21 117.35 128.77 1g72 s TYR 472 Ca 0.02 -0.73 0.07 0.00 -2.44 0.00 0.00 57.07 53.99 1g72 s TYR 472 Cb -0.10 -1.75 -0.02 0.00 0.35 0.00 0.00 41.96 40.44 1g72 s TYR 472 CO 0.01 -0.24 -0.21 0.95 -1.34 0.00 0.00 175.55 174.72 1g72 s THR 473 N 0.18 1.69 0.66 4.34 -4.23 -0.86 -1.25 115.64 116.16 1g72 s THR 473 Ca -0.10 -0.93 0.13 0.00 -1.18 0.00 0.00 61.69 59.60 1g72 s THR 473 Cb -0.16 -1.40 0.13 0.00 1.34 0.00 0.00 72.50 72.41 1g72 s THR 473 CO 0.06 0.46 1.38 0.50 -0.54 0.00 0.00 174.62 176.49 1g72 h LYS 474 N 5.56 0.00 0.00 3.99 3.64 -1.03 0.52 116.57 129.24 1g72 h LYS 474 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1g72 h LYS 474 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1g72 h LYS 474 CO 0.47 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.06 1g72 n GLY 475 N -1.39 -0.40 1.20 5.01 0.00 -1.25 -4.78 105.19 103.58 1g72 n GLY 475 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1g72 n GLY 475 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 476 N -0.32 0.93 3.26 -0.02 0.00 0.14 -2.85 105.19 106.33 1g72 n GLY 476 Ca 0.08 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 1g72 n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g72 s LEU 477 N -0.36 2.11 -0.26 0.99 1.43 -1.02 -2.36 118.68 119.21 1g72 s LEU 477 Ca 0.00 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1g72 s LEU 477 Cb 0.00 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1g72 s LEU 477 CO 0.00 0.23 -0.02 -0.69 0.23 0.00 0.00 176.35 176.10 1g72 s VAL 478 N -0.68 3.19 -0.07 -1.59 1.01 -0.22 -2.04 120.40 120.00 1g72 s VAL 478 Ca 0.09 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1g72 s VAL 478 Cb -0.09 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1g72 s VAL 478 CO 0.01 0.16 0.07 0.26 0.00 0.00 0.00 175.10 175.60 1g72 s TRP 479 N 1.37 3.34 -0.03 5.22 0.52 0.70 -0.34 118.94 129.73 1g72 s TRP 479 Ca 0.01 0.31 -0.29 0.00 0.02 0.00 0.00 56.10 56.14 1g72 s TRP 479 Cb -0.17 -1.82 0.09 0.00 -1.15 0.00 0.00 33.47 30.42 1g72 s TRP 479 CO -0.02 0.58 0.77 1.52 0.02 0.00 0.00 176.95 179.82 1g72 s TYR 480 N -1.03 -0.52 0.08 -1.98 -0.85 -0.73 -0.44 117.35 111.87 1g72 s TYR 480 Ca 0.17 0.73 0.04 0.00 -0.52 0.00 0.00 57.07 57.49 1g72 s TYR 480 Cb -0.12 0.47 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 1g72 s TYR 480 CO 0.07 -0.58 0.05 0.00 -1.52 0.00 0.00 175.55 173.57 1g72 s ALA 481 N -1.93 3.48 0.22 9.51 0.00 -1.26 -0.55 121.76 131.23 1g72 s ALA 481 Ca -0.04 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 50.96 1g72 s ALA 481 Cb -0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1g72 s ALA 481 CO 0.01 0.73 -0.01 0.95 0.00 0.00 0.00 175.76 177.44 1g72 s THR 482 N -1.37 3.52 0.45 0.00 -4.23 0.31 -4.59 115.64 109.74 1g72 s THR 482 Ca 0.28 -1.70 0.29 0.00 -1.18 0.00 0.00 61.69 59.38 1g72 s THR 482 Cb -0.12 -2.82 0.32 0.00 1.34 0.00 0.00 72.50 71.21 1g72 s THR 482 CO 0.21 -0.24 2.12 -0.07 -0.54 0.00 0.00 174.62 176.10 1g72 h LEU 483 N 2.31 0.00 -0.55 4.79 3.38 -1.77 -1.66 115.31 121.81 1g72 h LEU 483 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1g72 h LEU 483 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1g72 h LEU 483 CO 0.58 0.09 0.00 -0.90 0.09 0.00 0.00 178.44 178.30 1g72 n ASP 484 N -3.64 0.84 0.00 -0.43 3.85 -1.26 -3.81 116.55 112.10 1g72 n ASP 484 Ca -0.02 -1.38 0.00 0.00 -0.71 0.00 0.00 54.79 52.68 1g72 n ASP 484 Cb 0.20 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1g72 n ASP 484 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1g72 n GLY 485 N 1.05 1.23 3.68 6.12 0.00 -0.80 -4.60 105.19 111.87 1g72 n GLY 485 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1g72 n GLY 485 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g72 s TYR 486 N -2.00 3.04 -0.16 1.61 1.51 -1.25 0.46 117.35 120.56 1g72 s TYR 486 Ca 0.00 0.04 -0.05 0.00 -1.01 0.00 0.00 57.07 56.05 1g72 s TYR 486 Cb 0.00 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1g72 s TYR 486 CO 0.00 0.46 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.72 1g72 s LEU 487 N -1.82 3.39 0.14 -1.29 2.96 -0.61 -0.53 118.68 120.93 1g72 s LEU 487 Ca 0.22 -0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1g72 s LEU 487 Cb -0.12 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1g72 s LEU 487 CO 0.13 0.17 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.67 1g72 s LYS 488 N 0.38 1.07 -0.07 1.98 1.02 0.28 -1.37 119.74 123.03 1g72 s LYS 488 Ca -0.02 -1.38 0.02 0.00 0.02 0.00 0.00 55.97 54.61 1g72 s LYS 488 Cb -0.14 -0.77 0.01 0.00 -0.52 0.00 0.00 37.83 36.42 1g72 s LYS 488 CO 0.02 0.12 -0.12 0.00 -0.92 0.00 0.00 175.35 174.46 1g72 s ALA 489 N -2.82 1.28 0.15 5.17 0.00 -0.46 -1.78 121.76 123.30 1g72 s ALA 489 Ca 0.14 -0.44 0.09 0.00 0.00 0.00 0.00 51.96 51.76 1g72 s ALA 489 Cb -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1g72 s ALA 489 CO 0.02 0.04 -0.16 -0.51 0.00 0.00 0.00 175.76 175.15 1g72 s LEU 490 N 0.81 2.75 -0.07 0.00 1.43 0.54 -0.74 118.68 123.41 1g72 s LEU 490 Ca -0.12 -0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 52.06 1g72 s LEU 490 Cb -0.15 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1g72 s LEU 490 CO 0.02 0.14 1.38 -0.62 0.23 0.00 0.00 176.35 177.50 1g72 s ASP 491 N -2.49 6.87 0.17 2.29 -1.08 0.49 -1.06 116.67 121.87 1g72 s ASP 491 Ca 0.21 1.97 0.18 0.00 -0.52 0.00 0.00 52.55 54.39 1g72 s ASP 491 Cb -0.09 -2.55 0.82 0.00 -1.46 0.00 0.00 42.92 39.63 1g72 s ASP 491 CO 0.12 -0.76 1.56 -0.46 0.52 0.00 0.00 175.17 176.16 1g72 n ASN 492 N 6.08 0.41 0.02 -0.34 6.94 -0.99 -0.50 115.26 126.87 1g72 n ASN 492 Ca 0.14 0.62 -0.18 0.00 -0.02 0.00 0.00 54.58 55.14 1g72 n ASN 492 Cb 0.44 -0.70 -0.12 0.00 -2.36 0.00 0.00 39.78 37.04 1g72 n ASN 492 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1g72 h LYS 493 N 0.00 0.36 0.00 -3.83 3.64 -1.90 -3.41 116.57 111.43 1g72 h LYS 493 Ca 0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1g72 h LYS 493 Cb 0.23 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1g72 h LYS 493 CO 0.00 1.15 0.00 -0.40 -2.27 0.00 0.00 179.45 177.93 1g72 n ASP 494 N -4.19 0.52 -0.06 4.20 3.85 -1.19 -4.96 116.55 114.72 1g72 n ASP 494 Ca -0.12 -1.07 -0.01 0.00 -0.71 0.00 0.00 54.79 52.88 1g72 n ASP 494 Cb 0.72 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.49 1g72 n ASP 494 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1g72 n GLY 495 N -0.04 0.48 3.74 6.12 0.00 0.34 -4.79 105.19 111.05 1g72 n GLY 495 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1g72 n GLY 495 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g72 s LYS 496 N -0.95 4.46 -0.13 1.61 2.20 -1.25 -4.67 119.74 121.01 1g72 s LYS 496 Ca 0.00 1.94 -0.29 0.00 -0.36 0.00 0.00 55.97 57.26 1g72 s LYS 496 Cb 0.00 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1g72 s LYS 496 CO 0.00 -0.13 1.23 -2.00 -0.36 0.00 0.00 175.35 174.09 1g72 s GLU 497 N -0.30 4.27 -0.02 4.03 2.12 -1.26 -0.38 118.70 127.16 1g72 s GLU 497 Ca 0.54 1.65 0.17 0.00 0.36 0.00 0.00 54.97 57.69 1g72 s GLU 497 Cb -0.34 -3.70 -0.26 0.00 0.26 0.00 0.00 34.13 30.10 1g72 s GLU 497 CO 0.38 -0.62 0.39 1.28 -0.54 0.00 0.00 175.26 176.14 1g72 n LEU 498 N 6.16 0.05 -3.50 2.70 4.77 0.08 -4.95 117.00 122.32 1g72 n LEU 498 Ca 0.13 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1g72 n LEU 498 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1g72 n LEU 498 CO 0.55 0.01 0.59 0.86 -1.33 0.00 0.00 177.39 178.08 1g72 s TRP 499 N -3.12 -0.45 0.12 -1.77 -0.00 -1.15 -4.58 118.94 107.99 1g72 s TRP 499 Ca -0.05 0.46 -0.25 0.00 -0.00 0.00 0.00 56.10 56.26 1g72 s TRP 499 Cb 0.11 0.51 0.07 0.00 -0.00 0.00 0.00 33.47 34.16 1g72 s TRP 499 CO 0.69 -0.60 0.75 0.54 -0.00 0.00 0.00 176.95 178.34 1g72 s ASN 500 N -2.11 -0.42 -0.13 5.86 6.03 -1.26 -1.35 114.94 121.56 1g72 s ASN 500 Ca 0.00 -0.11 -0.11 0.00 -1.03 0.00 0.00 52.86 51.61 1g72 s ASN 500 Cb -0.01 0.53 0.04 0.00 -3.03 0.00 0.00 41.25 38.78 1g72 s ASN 500 CO -0.05 -0.89 0.33 0.12 -2.03 0.00 0.00 177.10 174.58 1g72 s PHE 501 N -3.51 -0.38 -0.64 1.54 5.36 -0.47 -4.97 117.98 114.92 1g72 s PHE 501 Ca 0.05 0.90 -0.23 0.00 -0.96 0.00 0.00 56.93 56.69 1g72 s PHE 501 Cb -0.02 0.13 0.06 0.00 -0.34 0.00 0.00 43.02 42.85 1g72 s PHE 501 CO -0.08 -0.19 0.98 0.21 -1.46 0.00 0.00 175.22 174.68 1g72 s LYS 502 N 0.36 3.17 0.89 10.12 2.47 -1.26 -1.57 119.74 133.92 1g72 s LYS 502 Ca -0.02 -0.64 -0.12 0.00 -1.56 0.00 0.00 55.97 53.64 1g72 s LYS 502 Cb -0.03 -4.18 0.13 0.00 -1.46 0.00 0.00 37.83 32.29 1g72 s LYS 502 CO -0.01 -1.75 1.14 -1.64 0.16 0.00 0.00 175.35 173.24 1g72 s MET 503 N 4.16 1.29 0.37 4.03 -1.94 0.17 -4.96 119.30 122.42 1g72 s MET 503 Ca 0.25 0.29 0.05 0.00 -1.71 0.00 0.00 55.69 54.57 1g72 s MET 503 Cb -0.15 -1.86 0.71 0.00 2.01 0.00 0.00 34.83 35.55 1g72 s MET 503 CO 0.13 -2.09 1.99 -1.35 -0.01 0.00 0.00 175.02 173.68 1g72 h PRO 504 N -1.42 0.62 -3.97 2.03 0.11 -1.96 -3.46 132.00 123.94 1g72 h PRO 504 Ca -0.50 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.43 1g72 h PRO 504 Cb 1.33 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 1g72 h PRO 504 CO 0.62 0.48 -0.34 0.45 -0.21 0.00 0.00 178.00 179.00 1g72 s SER 505 N -6.64 0.05 0.65 -2.05 0.15 -1.26 -4.69 113.70 99.90 1g72 s SER 505 Ca -0.09 -0.98 -0.17 0.00 0.70 0.00 0.00 55.95 55.41 1g72 s SER 505 Cb 0.17 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1g72 s SER 505 CO 0.75 -0.92 1.25 -0.83 1.20 0.00 0.00 173.24 174.69 1g72 s GLY 506 N -3.01 2.71 -0.15 9.45 0.00 -1.25 -4.11 107.32 110.96 1g72 s GLY 506 Ca 0.22 1.08 -0.05 0.00 0.00 0.00 0.00 44.72 45.97 1g72 s GLY 506 CO 0.04 1.50 0.02 -0.32 0.00 0.00 0.00 173.10 174.33 1g72 s GLY 507 N -1.60 1.84 -0.03 0.20 0.00 -0.69 -0.72 107.32 106.31 1g72 s GLY 507 Ca 0.79 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 44.78 1g72 s GLY 507 CO 0.39 -0.17 1.04 0.29 0.00 0.00 0.00 173.10 174.66 1g72 n ILE 508 N 3.10 1.21 -4.16 0.90 -5.35 -1.26 -4.21 119.36 109.59 1g72 n ILE 508 Ca -0.17 -1.29 -0.29 0.00 -0.27 0.00 0.00 62.75 60.73 1g72 n ILE 508 Cb 0.53 0.33 -0.02 0.00 -1.74 0.00 0.00 39.64 38.73 1g72 n ILE 508 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1g72 s GLY 509 N -1.43 2.61 -0.07 3.28 0.00 -1.26 -4.09 107.32 106.36 1g72 s GLY 509 Ca 0.08 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.94 1g72 s GLY 509 CO 0.01 -2.04 0.01 -0.45 0.00 0.00 0.00 173.10 170.64 1g72 s SER 510 N -4.18 5.31 0.78 1.64 0.15 -1.22 -4.41 113.70 111.76 1g72 s SER 510 Ca 0.23 0.14 -0.13 0.00 0.70 0.00 0.00 55.95 56.88 1g72 s SER 510 Cb -0.02 -1.49 0.07 0.00 -1.71 0.00 0.00 66.02 62.87 1g72 s SER 510 CO 0.15 0.36 1.19 -2.84 1.20 0.00 0.00 173.24 173.29 1g72 s PRO 511 N -1.07 1.85 0.27 5.44 0.02 -1.26 -4.61 135.00 135.65 1g72 s PRO 511 Ca 0.15 1.68 0.02 0.00 0.02 0.00 0.00 61.00 62.87 1g72 s PRO 511 Cb -0.11 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 1g72 s PRO 511 CO 0.05 -2.04 0.08 0.00 -0.33 0.00 0.00 177.00 174.76 1g72 s MET 512 N -4.15 1.47 0.05 5.54 0.23 -0.49 -4.66 119.30 117.28 1g72 s MET 512 Ca 0.72 -1.80 -0.07 0.00 -1.03 0.00 0.00 55.69 53.51 1g72 s MET 512 Cb -0.27 -0.42 -0.01 0.00 -1.53 0.00 0.00 34.83 32.60 1g72 s MET 512 CO 0.49 -0.26 0.13 -0.08 -2.03 0.00 0.00 175.02 173.27 1g72 s THR 513 N -3.63 0.14 0.19 3.16 -1.32 -1.26 -1.00 115.64 111.92 1g72 s THR 513 Ca 0.37 -1.14 -0.24 0.00 -1.21 0.00 0.00 61.69 59.47 1g72 s THR 513 Cb 0.08 -1.08 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 1g72 s THR 513 CO 0.14 -0.63 0.82 -0.72 -2.21 0.00 0.00 174.62 172.02 1g72 s TYR 514 N -3.07 -0.22 0.04 9.09 -0.85 -0.68 -4.69 117.35 116.97 1g72 s TYR 514 Ca -0.01 -0.12 0.08 0.00 -0.52 0.00 0.00 57.07 56.50 1g72 s TYR 514 Cb 0.01 0.65 -0.03 0.00 0.38 0.00 0.00 41.96 42.98 1g72 s TYR 514 CO -0.07 -0.96 -0.23 -1.54 -1.52 0.00 0.00 175.55 171.23 1g72 s SER 515 N -2.87 2.73 -0.06 -0.18 1.04 -0.59 -0.08 113.70 113.70 1g72 s SER 515 Ca 0.10 -0.55 -0.02 0.00 0.48 0.00 0.00 55.95 55.96 1g72 s SER 515 Cb -0.03 -0.24 0.04 0.00 0.10 0.00 0.00 66.02 65.89 1g72 s SER 515 CO 0.01 0.20 0.10 0.12 0.98 0.00 0.00 173.24 174.65 1g72 s PHE 516 N -0.80 -0.05 -1.37 5.02 5.36 -0.28 -4.78 117.98 121.09 1g72 s PHE 516 Ca 0.09 0.40 -0.06 0.00 -0.96 0.00 0.00 56.93 56.41 1g72 s PHE 516 Cb -0.09 -0.34 0.03 0.00 -0.34 0.00 0.00 43.02 42.27 1g72 s PHE 516 CO 0.02 -0.21 0.91 1.63 -1.46 0.00 0.00 175.22 176.11 1g72 n LYS 517 N 5.14 -5.85 -0.92 10.12 5.02 -1.26 -1.95 118.16 128.46 1g72 n LYS 517 Ca -0.07 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1g72 n LYS 517 Cb 0.50 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.02 1g72 n LYS 517 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g72 n GLY 518 N -1.61 0.40 3.45 0.72 0.00 -1.26 -5.00 105.19 101.88 1g72 n GLY 518 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1g72 n GLY 518 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g72 s LYS 519 N -0.68 3.11 0.06 1.61 2.20 -0.82 -5.10 119.74 120.12 1g72 s LYS 519 Ca 0.00 -0.64 -0.24 0.00 -0.36 0.00 0.00 55.97 54.73 1g72 s LYS 519 Cb 0.00 -2.60 -0.06 0.00 -1.51 0.00 0.00 37.83 33.66 1g72 s LYS 519 CO 0.00 0.39 0.71 -1.14 -0.36 0.00 0.00 175.35 174.96 1g72 s GLN 520 N -0.10 4.45 0.07 4.03 0.74 -1.26 -1.12 119.66 126.45 1g72 s GLN 520 Ca -0.01 0.99 0.07 0.00 0.05 0.00 0.00 55.36 56.46 1g72 s GLN 520 Cb -0.14 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 1g72 s GLN 520 CO 0.03 0.39 -0.19 0.71 -0.55 0.00 0.00 175.29 175.68 1g72 s TYR 521 N -0.40 1.68 -0.11 1.67 1.51 0.89 -4.49 117.35 118.10 1g72 s TYR 521 Ca 0.36 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 1g72 s TYR 521 Cb -0.20 -0.97 -0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1g72 s TYR 521 CO 0.22 0.12 -0.15 0.42 -1.11 0.00 0.00 175.55 175.05 1g72 s ILE 522 N -0.97 2.89 0.02 2.71 -1.09 -0.07 -1.69 121.20 123.01 1g72 s ILE 522 Ca 0.06 -0.73 0.07 0.00 -2.23 0.00 0.00 60.65 57.81 1g72 s ILE 522 Cb -0.09 -2.18 -0.02 0.00 -1.58 0.00 0.00 42.46 38.58 1g72 s ILE 522 CO 0.03 0.54 -0.21 -0.83 -1.23 0.00 0.00 174.94 173.24 1g72 s GLY 523 N 0.13 1.07 -0.11 6.18 0.00 -0.17 -0.14 107.32 114.29 1g72 s GLY 523 Ca -0.08 -0.99 -0.07 0.00 0.00 0.00 0.00 44.72 43.58 1g72 s GLY 523 CO 0.05 -0.89 0.27 -0.45 0.00 0.00 0.00 173.10 172.08 1g72 s SER 524 N -0.92 -0.29 0.67 1.64 0.15 -0.68 -1.40 113.70 112.88 1g72 s SER 524 Ca 0.08 0.55 -0.11 0.00 0.70 0.00 0.00 55.95 57.17 1g72 s SER 524 Cb -0.08 0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1g72 s SER 524 CO 0.01 -0.13 1.05 -0.04 1.20 0.00 0.00 173.24 175.33 1g72 s MET 525 N 0.71 3.13 0.01 5.44 -1.94 -1.26 -1.71 119.30 123.69 1g72 s MET 525 Ca -0.05 0.86 -0.02 0.00 -1.71 0.00 0.00 55.69 54.78 1g72 s MET 525 Cb -0.06 -2.02 -0.01 0.00 2.01 0.00 0.00 34.83 34.75 1g72 s MET 525 CO -0.04 -0.93 0.01 1.52 -0.01 0.00 0.00 175.02 175.56 1g72 s TYR 526 N -3.10 0.19 0.00 -0.03 -0.85 -0.08 -4.62 117.35 108.86 1g72 s TYR 526 Ca 0.57 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.71 1g72 s TYR 526 Cb -0.13 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.06 1g72 s TYR 526 CO 0.55 -0.20 0.00 0.41 -1.52 0.00 0.00 175.55 174.79 1g72 n GLY 527 N 1.66 2.23 3.78 5.49 0.00 0.10 -1.66 105.19 116.79 1g72 n GLY 527 Ca -0.23 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1g72 n GLY 527 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g72 s VAL 528 N 0.00 3.40 -0.95 1.61 0.11 -0.75 -1.75 120.40 122.07 1g72 s VAL 528 Ca 0.00 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 1g72 s VAL 528 Cb 0.00 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 1g72 s VAL 528 CO 0.00 -0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.08 1g72 n GLY 529 N -0.33 -0.67 7.00 6.54 0.00 -1.26 -2.99 105.19 113.48 1g72 n GLY 529 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1g72 n GLY 529 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 530 N 0.00 -1.47 0.24 -0.02 0.00 -1.26 -2.44 105.19 100.25 1g72 n GLY 530 Ca 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 46.02 44.79 1g72 n GLY 530 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1g72 h TRP 531 N 0.00 0.64 -0.62 1.61 2.91 -1.96 -2.54 115.95 115.99 1g72 h TRP 531 Ca 0.00 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.11 1g72 h TRP 531 Cb 0.00 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 28.41 1g72 h TRP 531 CO 0.00 0.33 0.41 -1.35 -1.03 0.00 0.00 178.44 176.80 1g72 h PRO 532 N 0.66 0.55 -0.54 2.65 0.11 -1.95 -2.83 132.00 130.64 1g72 h PRO 532 Ca 0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1g72 h PRO 532 Cb 0.10 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1g72 h PRO 532 CO -0.14 0.36 0.00 0.41 -0.21 0.00 0.00 178.00 178.42 1g72 n GLY 533 N -1.48 1.64 0.36 -0.55 0.00 -0.97 -4.51 105.19 99.67 1g72 n GLY 533 Ca 0.09 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.55 1g72 n GLY 533 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1g72 h VAL 534 N 3.40 0.92 -0.35 1.61 -1.51 -1.36 0.34 116.25 119.31 1g72 h VAL 534 Ca 0.00 -0.34 -0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1g72 h VAL 534 Cb 0.78 -0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 29.76 1g72 h VAL 534 CO 0.00 0.18 0.20 1.23 -1.23 0.00 0.00 177.57 177.95 1g72 h GLY 535 N 0.99 0.51 0.81 5.19 0.00 -1.84 0.19 103.07 108.93 1g72 h GLY 535 Ca 0.49 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 1g72 h GLY 535 CO -0.26 0.22 -0.15 -2.00 0.00 0.00 0.00 176.54 174.34 1g72 h LEU 536 N 0.44 0.47 -0.52 3.11 5.85 -1.63 -0.55 115.31 122.48 1g72 h LEU 536 Ca 0.12 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 1g72 h LEU 536 Cb 0.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1g72 h LEU 536 CO -0.02 0.82 0.09 0.58 -0.34 0.00 0.00 178.44 179.57 1g72 h VAL 537 N 0.13 1.25 -0.39 1.05 2.07 -0.26 -3.23 116.25 116.87 1g72 h VAL 537 Ca 0.04 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1g72 h VAL 537 Cb 0.67 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1g72 h VAL 537 CO 0.04 0.34 0.00 0.49 0.02 0.00 0.00 177.57 178.46 1g72 n PHE 538 N -4.39 1.28 -3.84 1.57 3.01 0.05 -4.98 117.46 110.15 1g72 n PHE 538 Ca 0.02 -0.78 -0.25 0.00 1.01 0.00 0.00 57.45 57.44 1g72 n PHE 538 Cb 0.26 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1g72 n PHE 538 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1g72 n ASP 539 N 0.03 -1.21 -4.86 4.37 9.92 -0.75 -4.97 116.55 119.08 1g72 n ASP 539 Ca 0.23 -0.95 -0.36 0.00 -0.53 0.00 0.00 54.79 53.18 1g72 n ASP 539 Cb 0.95 -3.41 -0.06 0.00 -0.64 0.00 0.00 41.12 37.96 1g72 n ASP 539 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1g72 s LEU 540 N -6.80 4.40 -0.00 0.64 1.43 -0.29 -4.98 118.68 113.07 1g72 s LEU 540 Ca 0.06 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1g72 s LEU 540 Cb -0.02 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 1g72 s LEU 540 CO 0.86 0.29 0.01 0.35 0.23 0.00 0.00 176.35 178.09 1g72 n THR 541 N 1.47 0.03 -1.87 5.49 -2.24 -1.26 -4.74 114.28 111.16 1g72 n THR 541 Ca -0.13 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1g72 n THR 541 Cb 0.53 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1g72 n THR 541 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g72 s ASP 542 N -2.54 6.58 0.43 3.42 -1.08 -1.26 -4.88 116.67 117.33 1g72 s ASP 542 Ca -0.00 2.43 0.17 0.00 -0.52 0.00 0.00 52.55 54.62 1g72 s ASP 542 Cb 0.00 -2.53 1.08 0.00 -1.46 0.00 0.00 42.92 40.01 1g72 s ASP 542 CO 0.04 -0.98 1.92 -0.65 0.52 0.00 0.00 175.17 176.02 1g72 h PRO 543 N 9.93 0.37 -0.00 4.34 0.11 -1.94 -0.69 132.00 144.11 1g72 h PRO 543 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1g72 h PRO 543 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1g72 h PRO 543 CO 0.95 0.25 -0.32 -1.13 -0.21 0.00 0.00 178.00 177.53 1g72 n SER 544 N -4.47 0.75 -4.61 -2.05 3.41 -1.26 -1.07 113.62 104.32 1g72 n SER 544 Ca 0.15 -0.58 -0.28 0.00 -0.26 0.00 0.00 58.87 57.89 1g72 n SER 544 Cb 0.56 0.13 0.19 0.00 -0.26 0.00 0.00 64.21 64.83 1g72 n SER 544 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g72 s ALA 545 N -2.69 0.67 -1.47 7.33 0.00 -0.27 -1.22 121.76 124.10 1g72 s ALA 545 Ca 0.20 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 51.70 1g72 s ALA 545 Cb 0.19 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.20 1g72 s ALA 545 CO 0.58 -3.07 0.88 0.41 0.00 0.00 0.00 175.76 174.56 1g72 n GLY 546 N -0.82 -0.54 3.03 0.00 0.00 -1.26 -1.51 105.19 104.10 1g72 n GLY 546 Ca 0.05 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 1g72 n GLY 546 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1g72 n LEU 547 N -4.49 -2.25 0.00 0.99 4.77 -1.25 -1.66 117.00 113.11 1g72 n LEU 547 Ca -0.06 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1g72 n LEU 547 Cb 0.59 -2.71 0.00 0.00 -2.33 0.00 0.00 43.42 38.97 1g72 n LEU 547 CO 0.56 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1g72 n GLY 548 N -1.36 1.36 0.15 -0.72 0.00 -0.36 -4.76 105.19 99.49 1g72 n GLY 548 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1g72 n GLY 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g72 h ALA 549 N 0.00 0.68 -0.42 4.61 0.00 -1.25 -3.30 119.26 119.59 1g72 h ALA 549 Ca 0.00 -0.64 0.08 0.00 0.00 0.00 0.00 54.91 54.36 1g72 h ALA 549 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1g72 h ALA 549 CO 0.00 0.83 -0.12 0.28 0.00 0.00 0.00 179.25 180.24 1g72 h VAL 550 N 0.14 0.55 -0.23 0.00 2.07 -1.65 -1.94 116.25 115.19 1g72 h VAL 550 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1g72 h VAL 550 Cb 1.31 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1g72 h VAL 550 CO 0.11 0.00 0.13 1.23 0.02 0.00 0.00 177.57 179.07 1g72 h GLY 551 N -0.02 0.31 0.80 2.17 0.00 -1.22 -2.40 103.07 102.70 1g72 h GLY 551 Ca 0.20 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.48 1g72 h GLY 551 CO -0.44 0.09 0.63 0.00 0.00 0.00 0.00 176.54 176.82 1g72 h ALA 552 N 1.10 1.32 -0.72 3.60 0.00 -1.49 -2.99 119.26 120.07 1g72 h ALA 552 Ca 0.09 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 1g72 h ALA 552 Cb -0.01 -0.32 -0.20 0.00 0.00 0.00 0.00 17.79 17.27 1g72 h ALA 552 CO -0.04 0.46 0.33 1.19 0.00 0.00 0.00 179.25 181.19 1g72 n PHE 553 N -4.50 2.28 -0.04 0.00 3.72 -0.77 -4.69 117.46 113.45 1g72 n PHE 553 Ca 0.14 -1.58 0.15 0.00 -0.05 0.00 0.00 57.45 56.11 1g72 n PHE 553 Cb 0.14 -0.73 0.58 0.00 -0.94 0.00 0.00 39.48 38.53 1g72 n PHE 553 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1g72 h ARG 554 N 1.42 0.22 0.00 -1.08 0.11 -1.28 -1.99 114.38 111.78 1g72 h ARG 554 Ca 0.41 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1g72 h ARG 554 Cb 2.35 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 33.37 1g72 h ARG 554 CO 0.78 0.15 -0.18 0.93 0.10 0.00 0.00 179.97 181.75 1g72 h GLU 555 N 0.23 0.00 -0.81 0.08 5.08 -1.87 -3.36 114.58 113.92 1g72 h GLU 555 Ca 0.26 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.77 1g72 h GLU 555 Cb 0.73 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.88 1g72 h GLU 555 CO -0.05 0.00 0.39 1.25 -1.00 0.00 0.00 179.01 179.59 1g72 h LEU 556 N 0.00 0.43 0.00 1.33 5.85 -1.73 0.32 115.31 121.52 1g72 h LEU 556 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1g72 h LEU 556 Cb 0.79 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1g72 h LEU 556 CO 0.00 0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.27 1g72 n GLN 557 N -4.92 0.04 0.00 1.25 10.64 -1.26 -0.71 117.38 122.42 1g72 n GLN 557 Ca 0.16 0.32 0.13 0.00 -1.83 0.00 0.00 57.00 55.78 1g72 n GLN 557 Cb 0.43 -1.50 0.27 0.00 -0.86 0.00 0.00 30.24 28.58 1g72 n GLN 557 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1g72 n ASN 558 N -1.41 2.17 -0.00 2.61 5.03 0.10 -4.18 115.26 119.58 1g72 n ASN 558 Ca 0.02 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.81 1g72 n ASN 558 Cb 0.07 0.06 -0.01 0.00 -1.02 0.00 0.00 39.78 38.88 1g72 n ASN 558 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1g72 n HIS 559 N 0.59 0.00 -3.47 3.10 8.25 0.12 -5.10 115.22 118.71 1g72 n HIS 559 Ca 0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.50 1g72 n HIS 559 Cb 0.47 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.53 1g72 n HIS 559 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1g72 s THR 560 N -2.08 0.00 0.43 1.59 -1.32 -0.72 -4.83 115.64 108.71 1g72 s THR 560 Ca -0.01 -0.11 0.03 0.00 -1.21 0.00 0.00 61.69 60.39 1g72 s THR 560 Cb 0.01 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.85 1g72 s THR 560 CO 0.05 -0.00 0.06 -1.10 -2.21 0.00 0.00 174.62 171.42 1g72 s GLN 561 N -3.77 1.97 0.91 7.08 -1.52 -1.26 -4.32 119.66 118.74 1g72 s GLN 561 Ca 0.02 -2.19 -0.11 0.00 -1.95 0.00 0.00 55.36 51.13 1g72 s GLN 561 Cb -0.02 -1.11 0.14 0.00 -0.22 0.00 0.00 33.01 31.80 1g72 s GLN 561 CO -0.11 -0.32 1.10 -1.64 -0.25 0.00 0.00 175.29 174.07 1g72 s MET 562 N -3.80 1.12 0.01 2.91 -1.94 -1.26 -4.56 119.30 111.78 1g72 s MET 562 Ca 0.22 1.12 -0.01 0.00 -1.71 0.00 0.00 55.69 55.31 1g72 s MET 562 Cb 0.05 -1.77 0.00 0.00 2.01 0.00 0.00 34.83 35.12 1g72 s MET 562 CO 0.11 -2.42 0.05 0.41 -0.01 0.00 0.00 175.02 173.17 1g72 n GLY 563 N -0.50 1.22 0.00 -0.03 0.00 -1.26 -4.90 105.19 99.72 1g72 n GLY 563 Ca 0.08 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1g72 n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 564 N -0.04 -0.54 0.00 -0.02 0.00 -1.23 -4.01 105.19 99.35 1g72 n GLY 564 Ca -0.00 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1g72 n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g72 n GLY 565 N 0.00 -1.24 3.07 -0.02 0.00 -0.66 -1.62 105.19 104.72 1g72 n GLY 565 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 1g72 n GLY 565 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g72 s LEU 566 N 0.00 2.08 -0.03 0.99 2.96 0.13 -0.90 118.68 123.91 1g72 s LEU 566 Ca 0.00 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1g72 s LEU 566 Cb 0.00 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.18 1g72 s LEU 566 CO 0.00 0.07 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.89 1g72 s MET 567 N -0.59 1.64 -0.03 1.98 -1.94 -0.69 -0.80 119.30 118.87 1g72 s MET 567 Ca 0.02 -0.59 0.07 0.00 -1.71 0.00 0.00 55.69 53.48 1g72 s MET 567 Cb -0.05 -1.46 -0.02 0.00 2.01 0.00 0.00 34.83 35.30 1g72 s MET 567 CO 0.00 0.27 -0.24 0.08 -0.01 0.00 0.00 175.02 175.12 1g72 s VAL 568 N -0.06 2.19 0.16 -6.03 1.01 -0.51 -1.68 120.40 115.48 1g72 s VAL 568 Ca -0.01 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 61.00 1g72 s VAL 568 Cb -0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1g72 s VAL 568 CO 0.01 0.58 -0.17 -0.36 0.00 0.00 0.00 175.10 175.16 1g72 s PHE 569 N -0.57 1.73 0.25 5.22 0.40 0.80 0.16 117.98 125.97 1g72 s PHE 569 Ca 0.09 -0.49 -0.20 0.00 -0.60 0.00 0.00 56.93 55.72 1g72 s PHE 569 Cb -0.11 -0.87 0.07 0.00 0.51 0.00 0.00 43.02 42.62 1g72 s PHE 569 CO -0.00 0.29 0.94 -1.54 0.70 0.00 0.00 175.22 175.61 1g72 s SER 570 N -2.65 -0.03 0.00 1.36 1.04 -0.56 -0.89 113.70 111.97 1g72 s SER 570 Ca 0.15 -0.78 0.31 0.00 0.48 0.00 0.00 55.95 56.10 1g72 s SER 570 Cb -0.05 0.61 1.86 0.00 0.10 0.00 0.00 66.02 68.54 1g72 s SER 570 CO 0.06 -1.21 2.19 0.18 0.98 0.00 0.00 173.24 175.44