#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tga s VAL 17 N 0.00 5.11 -0.41 1.39 1.01 -0.31 -4.30 120.40 122.88 2tga s VAL 17 Ca 0.00 1.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 2tga s VAL 17 Cb 0.00 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2tga s VAL 17 CO 0.00 0.20 0.35 0.61 0.00 0.00 0.00 175.10 176.26 2tga n GLY 18 N 3.71 0.16 0.00 4.51 0.00 -1.25 -0.92 105.19 111.39 2tga n GLY 18 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2tga n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tga n GLY 19 N -1.15 4.78 3.81 -0.02 0.00 -1.26 -4.72 105.19 106.64 2tga n GLY 19 Ca -0.08 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 2tga n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2tga s TYR 20 N 3.57 -0.14 -0.38 1.61 -0.85 -0.77 -5.02 117.35 115.37 2tga s TYR 20 Ca 0.00 -0.26 -0.29 0.00 -0.52 0.00 0.00 57.07 56.00 2tga s TYR 20 Cb 0.00 0.69 0.02 0.00 0.38 0.00 0.00 41.96 43.04 2tga s TYR 20 CO 0.00 -1.06 1.18 0.99 -1.52 0.00 0.00 175.55 175.14 2tga s THR 21 N -3.49 4.25 0.27 -3.49 2.01 -1.26 -0.97 115.64 112.95 2tga s THR 21 Ca 0.12 1.37 -0.01 0.00 0.31 0.00 0.00 61.69 63.48 2tga s THR 21 Cb -0.04 -4.41 0.26 0.00 0.01 0.00 0.00 72.50 68.33 2tga s THR 21 CO 0.05 -0.71 1.69 0.00 -0.69 0.00 0.00 174.62 174.96 2tga n GLY 23 N -1.35 2.27 3.66 0.00 0.00 -1.26 -4.81 105.19 103.70 2tga n GLY 23 Ca 0.18 -1.48 -0.50 0.00 0.00 0.00 0.00 46.02 44.22 2tga n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tga n ALA 24 N 2.00 0.33 -1.80 4.61 0.00 -1.26 -2.65 120.51 121.74 2tga n ALA 24 Ca 0.00 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 53.68 2tga n ALA 24 Cb 0.00 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 2tga n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2tga n ASN 25 N 4.16 -5.28 0.09 0.00 3.02 -1.26 -4.89 115.26 111.10 2tga n ASN 25 Ca 0.20 0.31 0.13 0.00 -0.03 0.00 0.00 54.58 55.19 2tga n ASN 25 Cb 0.23 -4.39 0.36 0.00 -0.61 0.00 0.00 39.78 35.38 2tga n ASN 25 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2tga n THR 26 N -2.95 0.50 -3.52 3.41 -1.04 -1.08 -4.21 114.28 105.38 2tga n THR 26 Ca -0.20 -0.26 -0.27 0.00 -2.04 0.00 0.00 64.05 61.28 2tga n THR 26 Cb 0.63 -0.46 -0.09 0.00 -1.82 0.00 0.00 70.33 68.59 2tga n THR 26 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2tga n VAL 27 N -2.17 1.30 0.41 12.58 0.31 -1.26 -4.98 118.33 124.51 2tga n VAL 27 Ca 0.05 -4.74 0.08 0.00 -0.01 0.00 0.00 64.34 59.72 2tga n VAL 27 Cb 0.43 -2.06 0.35 0.00 -0.91 0.00 0.00 33.84 31.65 2tga n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2tga n PRO 28 N 1.46 0.07 0.00 5.55 -0.04 -1.26 -2.20 135.00 138.57 2tga n PRO 28 Ca 0.26 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 2tga n PRO 28 Cb 0.42 -1.64 0.19 0.00 -0.04 0.00 0.00 33.50 32.43 2tga n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2tga n TYR 29 N -1.76 0.00 -2.20 0.54 0.18 -1.21 -0.90 117.16 111.81 2tga n TYR 29 Ca 0.03 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.38 2tga n TYR 29 Cb 0.17 -0.10 -0.03 0.00 -0.38 0.00 0.00 39.34 39.00 2tga n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2tga s GLN 30 N -2.66 4.29 0.04 -3.48 2.00 -0.94 -1.25 119.66 117.66 2tga s GLN 30 Ca 0.18 2.01 0.07 0.00 -2.00 0.00 0.00 55.36 55.62 2tga s GLN 30 Cb 0.18 -3.49 -0.03 0.00 0.80 0.00 0.00 33.01 30.47 2tga s GLN 30 CO 0.62 -0.54 -0.19 0.08 -0.50 0.00 0.00 175.29 174.76 2tga s VAL 31 N 2.07 2.75 -0.17 1.34 1.01 -0.29 -4.32 120.40 122.78 2tga s VAL 31 Ca 0.65 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2tga s VAL 31 Cb -0.33 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2tga s VAL 31 CO 0.28 0.35 -0.00 -0.55 0.00 0.00 0.00 175.10 175.17 2tga s SER 32 N -1.40 5.01 -0.26 3.32 0.15 -0.13 -1.51 113.70 118.89 2tga s SER 32 Ca 0.14 -0.09 -0.14 0.00 0.70 0.00 0.00 55.95 56.56 2tga s SER 32 Cb -0.10 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 2tga s SER 32 CO 0.05 0.15 0.34 -0.76 1.20 0.00 0.00 173.24 174.21 2tga s LEU 33 N 0.50 4.06 -0.09 3.45 1.43 0.59 -0.34 118.68 128.27 2tga s LEU 33 Ca -0.01 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 2tga s LEU 33 Cb -0.14 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 2tga s LEU 33 CO 0.02 -0.13 -0.22 0.21 0.23 0.00 0.00 176.35 176.46 2tga s ASN 34 N 1.52 3.27 -0.35 2.29 3.84 0.20 -1.45 114.94 124.26 2tga s ASN 34 Ca 0.14 -0.50 0.11 0.00 0.21 0.00 0.00 52.86 52.82 2tga s ASN 34 Cb -0.15 -1.26 0.45 0.00 -0.55 0.00 0.00 41.25 39.74 2tga s ASN 34 CO 0.09 0.19 1.11 -1.54 -2.79 0.00 0.00 177.10 174.16 2tga n SER 37 N 3.31 3.73 0.00 -4.21 3.41 -1.26 -0.74 113.62 117.85 2tga n SER 37 Ca -0.18 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.13 2tga n SER 37 Cb 0.53 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2tga n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2tga n GLY 38 N -0.49 0.49 3.50 5.00 0.00 -1.26 -4.99 105.19 107.43 2tga n GLY 38 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 2tga n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2tga s TYR 39 N -2.12 -0.37 -0.10 1.61 1.13 -1.26 -5.13 117.35 111.11 2tga s TYR 39 Ca 0.00 0.22 -0.30 0.00 -1.41 0.00 0.00 57.07 55.58 2tga s TYR 39 Cb 0.00 0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 41.37 2tga s TYR 39 CO 0.00 -0.61 1.40 -1.58 -2.51 0.00 0.00 175.55 172.25 2tga s HIS 40 N -3.24 2.60 -0.00 -3.49 5.65 -1.26 -4.21 115.29 111.33 2tga s HIS 40 Ca 0.05 0.74 0.00 0.00 0.25 0.00 0.00 55.06 56.09 2tga s HIS 40 Cb -0.01 -3.65 -0.00 0.00 -1.18 0.00 0.00 32.58 27.74 2tga s HIS 40 CO -0.09 -2.46 0.00 1.97 -0.65 0.00 0.00 174.74 173.51 2tga n PHE 41 N 6.50 0.00 -3.83 3.88 1.16 -0.53 -4.97 117.46 119.68 2tga n PHE 41 Ca 0.15 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.63 2tga n PHE 41 Cb 0.44 -0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.26 2tga n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2tga s GLY 43 N -2.92 1.77 0.26 0.00 0.00 0.24 -0.30 107.32 106.37 2tga s GLY 43 Ca 0.13 -2.02 -0.19 0.00 0.00 0.00 0.00 44.72 42.64 2tga s GLY 43 CO 0.01 -1.61 0.94 0.61 0.00 0.00 0.00 173.10 173.05 2tga n GLY 44 N -2.20 0.74 3.13 0.20 0.00 -0.57 -4.02 105.19 102.47 2tga n GLY 44 Ca 0.14 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 2tga n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2tga s SER 45 N -3.30 2.18 -0.35 1.61 0.01 -0.22 -1.14 113.70 112.48 2tga s SER 45 Ca 0.20 -0.36 -0.27 0.00 1.31 0.00 0.00 55.95 56.84 2tga s SER 45 Cb -0.04 -0.63 0.01 0.00 0.21 0.00 0.00 66.02 65.58 2tga s SER 45 CO 0.08 0.15 0.97 -0.22 0.41 0.00 0.00 173.24 174.63 2tga s LEU 46 N 0.07 3.97 -0.01 2.44 2.96 -0.38 -0.78 118.68 126.94 2tga s LEU 46 Ca -0.05 0.72 0.18 0.00 -0.22 0.00 0.00 54.13 54.76 2tga s LEU 46 Cb -0.12 -3.34 -0.24 0.00 0.50 0.00 0.00 46.19 42.99 2tga s LEU 46 CO 0.02 -0.86 0.54 2.30 -1.32 0.00 0.00 176.35 177.03 2tga n ILE 47 N 5.95 0.00 -3.78 6.68 -5.35 -0.62 -0.82 119.36 121.42 2tga n ILE 47 Ca 0.08 -0.28 -0.03 0.00 -0.27 0.00 0.00 62.75 62.25 2tga n ILE 47 Cb 0.48 0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 38.83 2tga n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2tga s ASN 48 N -3.50 -0.14 0.62 7.28 6.03 -1.22 -4.54 114.94 119.48 2tga s ASN 48 Ca -0.01 -0.47 0.29 0.00 -1.03 0.00 0.00 52.86 51.64 2tga s ASN 48 Cb 0.12 0.49 1.53 0.00 -3.03 0.00 0.00 41.25 40.36 2tga s ASN 48 CO 0.74 -0.93 1.90 0.77 -2.03 0.00 0.00 177.10 177.55 2tga h SER 49 N 2.00 0.00 -0.00 3.54 4.64 -1.96 -2.76 113.55 119.01 2tga h SER 49 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2tga h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2tga h SER 49 CO 0.28 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 176.12 2tga n GLN 50 N -3.35 3.58 -4.51 4.77 6.02 -1.26 -0.40 117.38 122.23 2tga n GLN 50 Ca 0.03 -0.27 -0.22 0.00 -0.01 0.00 0.00 57.00 56.54 2tga n GLN 50 Cb 0.53 -0.82 -0.14 0.00 1.02 0.00 0.00 30.24 30.83 2tga n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2tga s TRP 51 N -1.01 1.36 0.03 1.08 0.52 -1.04 -0.13 118.94 119.75 2tga s TRP 51 Ca 0.03 -0.32 0.09 0.00 0.02 0.00 0.00 56.10 55.91 2tga s TRP 51 Cb 0.03 -0.83 -0.03 0.00 -1.15 0.00 0.00 33.47 31.49 2tga s TRP 51 CO 0.12 0.03 -0.26 0.08 0.02 0.00 0.00 176.95 176.94 2tga s VAL 52 N -0.68 2.11 -0.11 4.03 1.01 0.50 -1.60 120.40 125.67 2tga s VAL 52 Ca 0.04 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.69 2tga s VAL 52 Cb -0.07 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 2tga s VAL 52 CO 0.01 0.40 -0.13 0.54 0.00 0.00 0.00 175.10 175.91 2tga s VAL 53 N -0.77 3.06 0.00 2.92 0.11 0.04 -0.25 120.40 125.50 2tga s VAL 53 Ca 0.11 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 2tga s VAL 53 Cb -0.10 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 32.49 2tga s VAL 53 CO 0.02 0.54 0.00 -0.24 -3.33 0.00 0.00 175.10 172.09 2tga n SER 54 N 3.23 0.30 -4.86 3.54 2.88 -0.37 -1.06 113.62 117.29 2tga n SER 54 Ca -0.18 -0.71 -0.34 0.00 -1.33 0.00 0.00 58.87 56.31 2tga n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 2tga n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2tga s ALA 55 N -2.00 3.64 0.41 -1.46 0.00 -1.26 -1.32 121.76 119.78 2tga s ALA 55 Ca 0.00 -0.29 0.23 0.00 0.00 0.00 0.00 51.96 51.90 2tga s ALA 55 Cb 0.00 -2.38 1.27 0.00 0.00 0.00 0.00 23.12 22.00 2tga s ALA 55 CO 0.00 0.53 2.02 0.00 0.00 0.00 0.00 175.76 178.31 2tga h ALA 56 N 3.26 1.38 0.00 0.00 0.00 -1.72 -0.91 119.26 121.27 2tga h ALA 56 Ca -0.48 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2tga h ALA 56 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2tga h ALA 56 CO 0.68 0.20 0.00 -2.39 0.00 0.00 0.00 179.25 177.74 2tga n HIS 57 N -3.83 0.00 0.72 0.00 1.44 -1.26 -1.89 115.22 110.40 2tga n HIS 57 Ca -0.02 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.78 2tga n HIS 57 Cb 0.26 -0.12 0.26 0.00 0.12 0.00 0.00 29.99 30.51 2tga n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2tga s TYR 59 N -1.53 2.42 0.20 0.00 6.14 -0.79 -4.98 117.35 118.80 2tga s TYR 59 Ca 0.33 0.17 -0.01 0.00 0.64 0.00 0.00 57.07 58.20 2tga s TYR 59 Cb 0.18 -4.10 -0.04 0.00 0.42 0.00 0.00 41.96 38.41 2tga s TYR 59 CO 0.25 -4.43 0.14 0.15 0.64 0.00 0.00 175.55 172.29 2tga s LYS 60 N 2.29 1.20 0.13 4.97 1.02 -1.26 -5.16 119.74 122.94 2tga s LYS 60 Ca 0.77 -1.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.13 2tga s LYS 60 Cb -0.45 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.09 2tga s LYS 60 CO 0.34 -0.39 0.32 0.45 -0.92 0.00 0.00 175.35 175.15 2tga s SER 61 N -3.15 6.40 -0.95 2.83 0.15 -1.26 -4.57 113.70 113.16 2tga s SER 61 Ca 0.38 0.39 -0.02 0.00 0.70 0.00 0.00 55.95 57.41 2tga s SER 61 Cb 0.07 -2.01 -0.02 0.00 -1.71 0.00 0.00 66.02 62.35 2tga s SER 61 CO 0.12 0.06 0.80 0.61 1.20 0.00 0.00 173.24 176.03 2tga n GLY 62 N -0.12 -0.42 3.74 9.45 0.00 -1.26 -5.01 105.19 111.57 2tga n GLY 62 Ca -0.04 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2tga n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2tga s ILE 63 N -3.31 4.60 -0.14 -0.61 1.01 -1.26 -4.68 121.20 116.81 2tga s ILE 63 Ca 0.13 1.87 -0.02 0.00 0.00 0.00 0.00 60.65 62.63 2tga s ILE 63 Cb -0.02 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 2tga s ILE 63 CO 0.60 0.34 -0.07 -1.58 0.00 0.00 0.00 174.94 174.23 2tga s GLN 64 N -0.03 3.55 -0.21 2.79 0.74 0.08 -1.46 119.66 125.12 2tga s GLN 64 Ca 0.43 -0.57 -0.16 0.00 0.05 0.00 0.00 55.36 55.11 2tga s GLN 64 Cb -0.22 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 2tga s GLN 64 CO 0.27 0.25 0.40 0.08 -0.55 0.00 0.00 175.29 175.74 2tga s VAL 65 N 0.31 5.19 -0.31 1.34 1.01 0.80 -0.63 120.40 128.11 2tga s VAL 65 Ca -0.06 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 2tga s VAL 65 Cb -0.15 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.55 2tga s VAL 65 CO 0.04 0.23 0.03 -0.13 0.00 0.00 0.00 175.10 175.26 2tga s ARG 66 N 1.45 2.54 0.15 2.72 0.52 0.53 -0.79 118.95 126.07 2tga s ARG 66 Ca 0.19 -1.20 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 2tga s ARG 66 Cb -0.15 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2tga s ARG 66 CO 0.08 -0.61 0.22 -0.51 0.02 0.00 0.00 175.30 174.50 2tga s LEU 67 N 1.31 4.10 -1.07 2.53 1.43 -0.16 -0.96 118.68 125.85 2tga s LEU 67 Ca -0.04 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2tga s LEU 67 Cb -0.19 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.34 2tga s LEU 67 CO -0.00 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.25 2tga n GLY 69 N -0.43 0.52 3.85 -3.19 0.00 -1.26 -0.91 105.19 103.76 2tga n GLY 69 Ca -0.08 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2tga n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2tga s GLU 70 N -3.82 4.00 0.02 1.61 0.41 -1.26 -3.70 118.70 115.96 2tga s GLU 70 Ca 0.00 0.82 0.00 0.00 -0.41 0.00 0.00 54.97 55.38 2tga s GLU 70 Cb 0.00 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 2tga s GLU 70 CO 0.00 -0.05 0.00 -3.47 -0.49 0.00 0.00 175.26 171.25 2tga n ASP 71 N -0.97 0.04 -4.56 -0.19 2.03 -1.26 -4.66 116.55 106.99 2tga n ASP 71 Ca 0.05 0.03 -0.43 0.00 0.52 0.00 0.00 54.79 54.96 2tga n ASP 71 Cb 0.54 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.90 2tga n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2tga s ASN 72 N -4.62 6.48 0.00 1.67 3.84 -1.26 -3.28 114.94 117.77 2tga s ASN 72 Ca 0.00 0.07 0.15 0.00 0.21 0.00 0.00 52.86 53.29 2tga s ASN 72 Cb 0.00 -2.44 0.73 0.00 -0.55 0.00 0.00 41.25 38.99 2tga s ASN 72 CO 0.00 -1.02 1.45 2.30 -2.79 0.00 0.00 177.10 177.04 2tga n ILE 73 N 6.36 0.71 0.71 -5.21 -5.35 -0.39 -2.86 119.36 113.33 2tga n ILE 73 Ca 0.05 0.18 0.08 0.00 -0.27 0.00 0.00 62.75 62.79 2tga n ILE 73 Cb 0.48 -0.92 -0.02 0.00 -1.74 0.00 0.00 39.64 37.44 2tga n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2tga n ASN 74 N -1.37 1.39 -4.03 7.28 3.02 -1.26 -4.94 115.26 115.35 2tga n ASN 74 Ca 0.06 -1.19 -0.21 0.00 -0.03 0.00 0.00 54.58 53.20 2tga n ASN 74 Cb 0.14 0.60 -0.15 0.00 -0.61 0.00 0.00 39.78 39.76 2tga n ASN 74 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2tga s VAL 75 N -2.01 0.89 -0.74 2.41 -7.23 -1.13 -5.10 120.40 107.49 2tga s VAL 75 Ca 0.11 -0.43 -0.27 0.00 -1.81 0.00 0.00 61.98 59.59 2tga s VAL 75 Cb 0.12 -0.78 0.03 0.00 0.56 0.00 0.00 36.38 36.32 2tga s VAL 75 CO 0.45 0.27 1.26 -0.69 -0.31 0.00 0.00 175.10 176.08 2tga s VAL 76 N 0.11 3.78 -2.54 1.32 1.01 -1.26 -4.65 120.40 118.17 2tga s VAL 76 Ca -0.02 0.31 0.24 0.00 0.00 0.00 0.00 61.98 62.51 2tga s VAL 76 Cb -0.08 -4.91 0.18 0.00 0.00 0.00 0.00 36.38 31.57 2tga s VAL 76 CO 0.01 -1.83 1.29 -0.62 0.00 0.00 0.00 175.10 173.95 2tga n GLU 77 N 9.23 1.78 0.00 2.72 1.02 -1.26 -4.98 120.64 129.15 2tga n GLU 77 Ca 0.03 -1.41 0.00 0.00 -0.02 0.00 0.00 57.16 55.77 2tga n GLU 77 Cb 0.49 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 2tga n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2tga n GLY 78 N 1.35 1.80 0.62 0.62 0.00 -1.26 -4.96 105.19 103.37 2tga n GLY 78 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2tga n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2tga n ASN 79 N 0.00 2.01 -4.78 1.61 3.02 -1.26 -5.00 115.26 110.85 2tga n ASN 79 Ca 0.00 -1.60 -0.33 0.00 -0.03 0.00 0.00 54.58 52.61 2tga n ASN 79 Cb 0.00 0.06 0.03 0.00 -0.61 0.00 0.00 39.78 39.25 2tga n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2tga s GLU 80 N -2.10 3.05 -0.10 3.52 8.01 -1.24 -4.46 118.70 125.37 2tga s GLU 80 Ca 0.31 1.38 -0.01 0.00 0.01 0.00 0.00 54.97 56.67 2tga s GLU 80 Cb 0.20 -1.98 0.03 0.00 -4.31 0.00 0.00 34.13 28.07 2tga s GLU 80 CO 0.36 -1.05 -0.04 -0.65 0.01 0.00 0.00 175.26 173.89 2tga s GLN 81 N -3.93 1.17 -0.34 1.61 -0.21 -0.09 -4.98 119.66 112.89 2tga s GLN 81 Ca 0.67 -0.13 -0.06 0.00 0.02 0.00 0.00 55.36 55.86 2tga s GLN 81 Cb -0.20 -1.39 0.05 0.00 1.00 0.00 0.00 33.01 32.47 2tga s GLN 81 CO 0.37 -0.29 0.10 -0.06 -2.12 0.00 0.00 175.29 173.29 2tga s PHE 82 N 1.81 3.28 -0.08 0.91 2.99 -1.26 -0.99 117.98 124.63 2tga s PHE 82 Ca 0.05 -1.55 0.02 0.00 0.00 0.00 0.00 56.93 55.44 2tga s PHE 82 Cb -0.13 -2.33 0.01 0.00 0.00 0.00 0.00 43.02 40.58 2tga s PHE 82 CO -0.07 -0.76 -0.13 0.42 -0.00 0.00 0.00 175.22 174.68 2tga s ILE 83 N 1.37 1.22 0.34 0.64 1.01 0.03 -4.98 121.20 120.82 2tga s ILE 83 Ca -0.02 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 2tga s ILE 83 Cb -0.20 -1.12 -0.11 0.00 0.01 0.00 0.00 42.46 41.04 2tga s ILE 83 CO 0.02 0.38 1.42 -0.44 0.00 0.00 0.00 174.94 176.32 2tga s SER 84 N 0.80 6.54 0.20 3.58 0.01 -1.26 -0.14 113.70 123.43 2tga s SER 84 Ca -0.12 2.86 -0.30 0.00 1.31 0.00 0.00 55.95 59.71 2tga s SER 84 Cb -0.15 -2.65 -0.08 0.00 0.21 0.00 0.00 66.02 63.34 2tga s SER 84 CO 0.02 -0.73 1.05 0.00 0.41 0.00 0.00 173.24 173.99 2tga s ALA 85 N -0.88 3.36 -0.13 1.44 0.00 -0.54 -0.45 121.76 124.55 2tga s ALA 85 Ca 0.53 0.77 0.17 0.00 0.00 0.00 0.00 51.96 53.43 2tga s ALA 85 Cb -0.44 -3.31 -0.24 0.00 0.00 0.00 0.00 23.12 19.14 2tga s ALA 85 CO 0.56 -0.10 0.37 -1.13 0.00 0.00 0.00 175.76 175.46 2tga n SER 86 N 2.00 0.32 -3.70 0.00 3.41 0.11 -4.73 113.62 111.04 2tga n SER 86 Ca 0.01 0.15 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 2tga n SER 86 Cb 0.46 0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 65.10 2tga n SER 86 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2tga s LYS 87 N -2.72 0.56 -0.04 4.33 2.20 -1.15 -5.00 119.74 117.91 2tga s LYS 87 Ca -0.07 0.75 0.07 0.00 -0.36 0.00 0.00 55.97 56.35 2tga s LYS 87 Cb 0.08 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.60 2tga s LYS 87 CO 0.84 -0.09 -0.25 -1.12 -0.36 0.00 0.00 175.35 174.37 2tga s SER 88 N 0.58 2.98 -0.25 1.43 0.01 -1.26 -0.41 113.70 116.78 2tga s SER 88 Ca -0.03 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2tga s SER 88 Cb -0.05 -0.64 0.07 0.00 0.21 0.00 0.00 66.02 65.62 2tga s SER 88 CO -0.03 0.26 -0.00 -0.63 0.41 0.00 0.00 173.24 173.25 2tga s ILE 89 N -0.31 1.36 0.26 1.44 1.01 0.12 -4.99 121.20 120.09 2tga s ILE 89 Ca 0.01 -1.28 -0.23 0.00 0.00 0.00 0.00 60.65 59.16 2tga s ILE 89 Cb -0.12 -1.76 -0.09 0.00 0.01 0.00 0.00 42.46 40.50 2tga s ILE 89 CO 0.02 -0.27 0.82 -0.69 0.00 0.00 0.00 174.94 174.83 2tga s VAL 90 N 1.44 4.40 0.18 2.92 1.01 -1.26 -0.60 120.40 128.49 2tga s VAL 90 Ca -0.01 1.55 -0.32 0.00 0.00 0.00 0.00 61.98 63.20 2tga s VAL 90 Cb -0.18 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.13 2tga s VAL 90 CO -0.10 0.21 1.74 1.57 0.00 0.00 0.00 175.10 178.52 2tga n HIS 91 N 0.73 2.68 -0.17 5.22 -0.00 -0.61 -4.87 115.22 118.19 2tga n HIS 91 Ca -0.01 0.01 0.29 0.00 0.46 0.00 0.00 57.72 58.47 2tga n HIS 91 Cb 0.50 -2.68 0.72 0.00 -0.12 0.00 0.00 29.99 28.41 2tga n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2tga h PRO 92 N 7.17 0.00 -0.33 1.57 0.11 -1.92 -1.83 132.00 136.76 2tga h PRO 92 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2tga h PRO 92 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2tga h PRO 92 CO 0.95 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.17 2tga n SER 93 N -3.99 4.32 -4.69 -2.05 7.64 -1.26 -4.99 113.62 108.59 2tga n SER 93 Ca 0.19 -3.00 -0.42 0.00 1.01 0.00 0.00 58.87 56.64 2tga n SER 93 Cb 1.05 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 2tga n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2tga s TYR 94 N -2.82 2.42 -0.34 1.43 6.04 -0.69 -4.61 117.35 118.78 2tga s TYR 94 Ca 0.45 0.25 -0.04 0.00 0.04 0.00 0.00 57.07 57.77 2tga s TYR 94 Cb 0.36 -4.03 0.06 0.00 -1.04 0.00 0.00 41.96 37.31 2tga s TYR 94 CO 0.10 -4.14 0.09 1.21 -1.54 0.00 0.00 175.55 171.28 2tga s ASN 95 N 2.32 5.14 0.00 4.32 3.84 -0.42 -4.99 114.94 125.15 2tga s ASN 95 Ca 0.76 -1.42 0.20 0.00 0.21 0.00 0.00 52.86 52.61 2tga s ASN 95 Cb -0.42 -1.80 0.89 0.00 -0.55 0.00 0.00 41.25 39.37 2tga s ASN 95 CO 0.33 -0.36 1.65 -1.54 -2.79 0.00 0.00 177.10 174.39 2tga n SER 96 N 4.69 0.00 -0.02 -4.21 3.41 -1.26 0.06 113.62 116.29 2tga n SER 96 Ca -0.10 0.41 -0.19 0.00 -0.26 0.00 0.00 58.87 58.72 2tga n SER 96 Cb 0.43 -0.46 -0.13 0.00 -0.26 0.00 0.00 64.21 63.79 2tga n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2tga h ASN 97 N 0.00 0.24 0.26 4.04 -0.26 -1.96 -3.37 115.58 114.53 2tga h ASN 97 Ca 0.00 -0.86 0.00 0.00 -0.56 0.00 0.00 56.30 54.88 2tga h ASN 97 Cb 0.32 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 2tga h ASN 97 CO 0.00 1.38 -0.66 0.35 -1.06 0.00 0.00 177.43 177.44 2tga n THR 98 N -4.24 0.00 -2.03 2.81 -2.24 -1.16 -4.96 114.28 102.47 2tga n THR 98 Ca -0.19 -0.03 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 2tga n THR 98 Cb 0.74 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 2tga n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2tga n LEU 99 N -1.33 -1.49 -4.72 3.22 4.77 0.11 -4.96 117.00 112.60 2tga n LEU 99 Ca 0.06 0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 2tga n LEU 99 Cb 0.34 -2.58 -0.04 0.00 -2.33 0.00 0.00 43.42 38.81 2tga n LEU 99 CO 0.37 -0.50 0.69 0.21 -1.33 0.00 0.00 177.39 176.82 2tga s ASN 100 N -2.23 7.44 -1.26 -1.43 3.04 -1.18 -3.29 114.94 116.03 2tga s ASN 100 Ca 0.00 1.79 -0.03 0.00 0.04 0.00 0.00 52.86 54.66 2tga s ASN 100 Cb 0.00 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 37.13 2tga s ASN 100 CO 0.00 -0.13 1.06 0.59 -3.04 0.00 0.00 177.10 175.58 2tga n ASN 101 N 3.04 -3.59 -3.93 -4.21 4.13 -1.26 -1.30 115.26 108.13 2tga n ASN 101 Ca 0.03 -0.60 -0.41 0.00 1.68 0.00 0.00 54.58 55.29 2tga n ASN 101 Cb 0.49 -5.06 -0.03 0.00 -1.54 0.00 0.00 39.78 33.64 2tga n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2tga n ASP 102 N -3.09 3.31 -3.81 6.41 2.03 -1.21 -4.19 116.55 116.01 2tga n ASP 102 Ca -0.18 -2.76 -0.12 0.00 0.52 0.00 0.00 54.79 52.24 2tga n ASP 102 Cb 0.63 -1.45 -0.12 0.00 -0.72 0.00 0.00 41.12 39.45 2tga n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2tga s ILE 103 N 5.32 -0.00 -0.00 5.18 2.07 -1.26 -3.79 121.20 128.72 2tga s ILE 103 Ca 0.56 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.79 2tga s ILE 103 Cb 0.11 -0.25 -0.00 0.00 0.13 0.00 0.00 42.46 42.45 2tga s ILE 103 CO 0.06 0.00 0.02 -0.32 -1.91 0.00 0.00 174.94 172.78 2tga s MET 104 N 0.11 0.13 -0.11 3.50 -2.45 -0.43 -1.58 119.30 118.46 2tga s MET 104 Ca -0.00 -0.15 -0.00 0.00 -1.25 0.00 0.00 55.69 54.28 2tga s MET 104 Cb -0.01 0.05 -0.02 0.00 1.25 0.00 0.00 34.83 36.09 2tga s MET 104 CO 0.00 -0.02 -0.10 -0.51 1.05 0.00 0.00 175.02 175.44 2tga s LEU 105 N -0.43 2.95 -0.20 4.11 1.02 0.23 -1.23 118.68 125.13 2tga s LEU 105 Ca -0.05 -0.19 0.01 0.00 0.02 0.00 0.00 54.13 53.92 2tga s LEU 105 Cb -0.03 -1.66 0.04 0.00 0.02 0.00 0.00 46.19 44.56 2tga s LEU 105 CO -0.00 0.23 -0.12 -0.63 0.02 0.00 0.00 176.35 175.85 2tga s ILE 106 N -0.04 1.71 -0.11 -0.59 1.01 0.65 0.11 121.20 123.94 2tga s ILE 106 Ca -0.01 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.46 2tga s ILE 106 Cb -0.14 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2tga s ILE 106 CO 0.03 0.22 0.45 -0.75 0.00 0.00 0.00 174.94 174.89 2tga s LYS 107 N 1.38 4.29 0.21 2.79 2.20 0.45 -0.37 119.74 130.69 2tga s LYS 107 Ca -0.01 0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 2tga s LYS 107 Cb -0.16 -3.41 -0.08 0.00 -1.51 0.00 0.00 37.83 32.67 2tga s LYS 107 CO -0.09 0.22 0.99 -0.51 -0.36 0.00 0.00 175.35 175.61 2tga s LEU 108 N 0.42 4.58 0.34 5.43 1.43 0.81 0.08 118.68 131.77 2tga s LEU 108 Ca 0.24 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.36 2tga s LEU 108 Cb -0.15 -3.61 0.60 0.00 0.03 0.00 0.00 46.19 43.07 2tga s LEU 108 CO 0.10 0.01 1.92 0.50 0.23 0.00 0.00 176.35 179.11 2tga h LYS 109 N 4.57 0.65 -4.72 1.70 3.64 -1.05 -3.42 116.57 117.94 2tga h LYS 109 Ca -0.45 -0.10 -0.32 0.00 -1.27 0.00 0.00 60.65 58.52 2tga h LYS 109 Cb 1.21 -0.12 -0.22 0.00 -0.41 0.00 0.00 32.23 32.69 2tga h LYS 109 CO 0.69 0.57 -0.75 -1.12 -2.27 0.00 0.00 179.45 176.57 2tga s SER 110 N -6.64 1.02 0.30 4.20 0.01 -1.26 -5.00 113.70 106.32 2tga s SER 110 Ca -0.09 -0.50 -0.29 0.00 1.31 0.00 0.00 55.95 56.39 2tga s SER 110 Cb 0.16 -0.00 -0.10 0.00 0.21 0.00 0.00 66.02 66.29 2tga s SER 110 CO 0.77 -0.13 1.36 0.00 0.41 0.00 0.00 173.24 175.65 2tga s ALA 111 N -1.16 3.55 0.57 1.44 0.00 -1.26 -4.89 121.76 120.01 2tga s ALA 111 Ca -0.06 1.29 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 2tga s ALA 111 Cb -0.09 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2tga s ALA 111 CO 0.01 -0.69 1.17 0.00 0.00 0.00 0.00 175.76 176.24 2tga s ALA 112 N -0.66 2.61 -0.47 0.00 0.00 0.47 -5.00 121.76 118.70 2tga s ALA 112 Ca 0.53 0.90 -0.17 0.00 0.00 0.00 0.00 51.96 53.22 2tga s ALA 112 Cb -0.41 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.37 2tga s ALA 112 CO 0.49 -0.99 0.48 -1.12 0.00 0.00 0.00 175.76 174.63 2tga s SER 113 N -1.73 6.18 0.12 0.00 0.01 -1.26 -4.84 113.70 112.19 2tga s SER 113 Ca 0.75 -1.02 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 2tga s SER 113 Cb -0.27 -2.23 -0.07 0.00 0.21 0.00 0.00 66.02 63.67 2tga s SER 113 CO 0.31 -0.71 1.18 -0.76 0.41 0.00 0.00 173.24 173.66 2tga s LEU 114 N 2.10 4.42 0.00 2.44 1.43 -1.26 -4.81 118.68 123.00 2tga s LEU 114 Ca 0.10 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2tga s LEU 114 Cb -0.21 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2tga s LEU 114 CO 0.10 -0.39 0.00 -0.46 0.23 0.00 0.00 176.35 175.84 2tga n ASN 115 N 3.16 0.00 -0.24 2.29 2.04 0.28 -4.97 115.26 117.82 2tga n ASN 115 Ca 0.06 -0.59 0.13 0.00 -0.44 0.00 0.00 54.58 53.75 2tga n ASN 115 Cb 0.46 0.00 0.41 0.00 -2.53 0.00 0.00 39.78 38.12 2tga n ASN 115 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2tga h SER 116 N 0.00 0.58 0.23 0.53 4.64 -1.99 -2.68 113.55 114.85 2tga h SER 116 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2tga h SER 116 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2tga h SER 116 CO 0.00 0.29 -1.33 0.54 -0.87 0.00 0.00 176.83 175.46 2tga n ARG 117 N -4.54 0.36 -3.76 4.77 3.00 -1.26 -4.81 116.66 110.42 2tga n ARG 117 Ca 0.17 -0.06 -0.30 0.00 -0.01 0.00 0.00 57.85 57.65 2tga n ARG 117 Cb 0.49 -1.56 -0.15 0.00 0.00 0.00 0.00 32.46 31.24 2tga n ARG 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2tga s VAL 118 N -3.27 0.98 0.15 1.55 1.01 -1.01 -4.48 120.40 115.34 2tga s VAL 118 Ca 0.01 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 60.59 2tga s VAL 118 Cb 0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2tga s VAL 118 CO 0.85 -0.65 -0.11 0.00 0.00 0.00 0.00 175.10 175.18 2tga s ALA 119 N 1.57 1.55 0.46 5.51 0.00 -0.08 -0.56 121.76 130.21 2tga s ALA 119 Ca 0.09 -1.49 -0.13 0.00 0.00 0.00 0.00 51.96 50.44 2tga s ALA 119 Cb -0.17 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.88 2tga s ALA 119 CO -0.23 -0.04 0.87 -1.12 0.00 0.00 0.00 175.76 175.24 2tga s SER 120 N -3.08 6.55 -0.06 0.00 0.01 -1.26 -3.33 113.70 112.52 2tga s SER 120 Ca 0.16 1.32 0.01 0.00 1.31 0.00 0.00 55.95 58.75 2tga s SER 120 Cb 0.01 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2tga s SER 120 CO 0.02 -0.50 -0.05 -0.51 0.41 0.00 0.00 173.24 172.61 2tga s ILE 121 N -2.51 3.81 0.44 1.44 1.10 0.00 -4.90 121.20 120.58 2tga s ILE 121 Ca 0.54 -0.49 -0.23 0.00 -0.51 0.00 0.00 60.65 59.97 2tga s ILE 121 Cb -0.10 -2.58 -0.08 0.00 0.15 0.00 0.00 42.46 39.84 2tga s ILE 121 CO 0.32 0.57 1.07 -0.44 -2.11 0.00 0.00 174.94 174.35 2tga s SER 122 N -0.93 6.50 0.40 4.50 0.01 -1.26 -4.57 113.70 118.36 2tga s SER 122 Ca 0.13 2.06 -0.23 0.00 1.31 0.00 0.00 55.95 59.22 2tga s SER 122 Cb -0.11 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.44 2tga s SER 122 CO 0.03 -0.67 1.00 -0.76 0.41 0.00 0.00 173.24 173.24 2tga s LEU 123 N -2.98 4.09 0.51 2.44 1.02 -1.26 -1.02 118.68 121.48 2tga s LEU 123 Ca 0.62 1.88 -0.22 0.00 0.02 0.00 0.00 54.13 56.43 2tga s LEU 123 Cb -0.22 -4.30 -0.06 0.00 0.02 0.00 0.00 46.19 41.64 2tga s LEU 123 CO 0.27 -0.40 1.25 -2.16 0.02 0.00 0.00 176.35 175.33 2tga s PRO 124 N -2.68 3.43 0.09 1.29 0.04 -1.26 -4.82 135.00 131.08 2tga s PRO 124 Ca 0.58 1.97 0.22 0.00 0.04 0.00 0.00 61.00 63.82 2tga s PRO 124 Cb -0.17 -2.30 -0.17 0.00 0.04 0.00 0.00 34.50 31.91 2tga s PRO 124 CO 0.22 -0.88 0.77 0.25 0.04 0.00 0.00 177.00 177.40 2tga n THR 125 N -0.81 0.32 -3.70 1.26 -2.24 -1.26 -4.97 114.28 102.88 2tga n THR 125 Ca 0.09 -0.53 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 2tga n THR 125 Cb 0.47 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 2tga n THR 125 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2tga s SER 127 N -4.95 -0.16 0.52 3.42 0.15 -1.26 -5.16 113.70 106.25 2tga s SER 127 Ca -0.04 -0.31 -0.20 0.00 0.70 0.00 0.00 55.95 56.10 2tga s SER 127 Cb 0.12 0.42 -0.07 0.00 -1.71 0.00 0.00 66.02 64.78 2tga s SER 127 CO 0.85 -0.77 1.07 0.00 1.20 0.00 0.00 173.24 175.60 2tga s ALA 129 N -1.95 3.26 0.30 0.00 0.00 -1.26 -5.07 121.76 117.05 2tga s ALA 129 Ca 0.69 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.78 2tga s ALA 129 Cb -0.19 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 2tga s ALA 129 CO 0.24 0.27 0.47 -1.54 0.00 0.00 0.00 175.76 175.20 2tga s SER 130 N -2.31 6.29 0.35 0.00 1.04 -1.26 -5.05 113.70 112.77 2tga s SER 130 Ca 0.56 0.27 -0.28 0.00 0.48 0.00 0.00 55.95 56.97 2tga s SER 130 Cb -0.10 -1.93 -0.11 0.00 0.10 0.00 0.00 66.02 63.98 2tga s SER 130 CO 0.17 -0.21 1.42 0.00 0.98 0.00 0.00 173.24 175.60 2tga s ALA 132 N -2.18 3.55 0.00 5.32 0.00 -1.26 -2.31 121.76 124.88 2tga s ALA 132 Ca 0.38 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2tga s ALA 132 Cb -0.09 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2tga s ALA 132 CO 0.33 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2tga n GLY 133 N 0.68 1.09 3.69 0.00 0.00 0.11 -4.96 105.19 105.80 2tga n GLY 133 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2tga n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2tga s THR 134 N -2.83 3.85 0.16 2.61 2.01 -0.98 -4.74 115.64 115.72 2tga s THR 134 Ca 0.00 1.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 2tga s THR 134 Cb 0.00 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 2tga s THR 134 CO 0.00 -0.00 1.18 -1.10 -0.69 0.00 0.00 174.62 174.01 2tga s GLN 135 N 2.36 4.50 0.24 4.92 -1.52 -1.26 -1.40 119.66 127.50 2tga s GLN 135 Ca 0.62 1.83 0.06 0.00 -1.95 0.00 0.00 55.36 55.92 2tga s GLN 135 Cb -0.30 -3.26 -0.05 0.00 -0.22 0.00 0.00 33.01 29.18 2tga s GLN 135 CO 0.25 -0.08 -0.06 0.00 -0.25 0.00 0.00 175.29 175.15 2tga s LEU 137 N -3.37 2.80 -0.24 0.00 2.96 0.37 -1.31 118.68 119.90 2tga s LEU 137 Ca 0.27 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2tga s LEU 137 Cb 0.03 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 45.05 2tga s LEU 137 CO 0.09 -0.04 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.44 2tga s ILE 138 N 1.42 3.42 0.24 6.68 1.01 0.06 -0.97 121.20 133.07 2tga s ILE 138 Ca 0.05 -0.63 0.11 0.00 0.00 0.00 0.00 60.65 60.18 2tga s ILE 138 Cb -0.14 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 2tga s ILE 138 CO -0.05 0.31 -0.20 -0.94 0.00 0.00 0.00 174.94 174.05 2tga s SER 139 N 1.46 3.40 0.00 3.58 1.04 -1.15 -1.21 113.70 120.82 2tga s SER 139 Ca 0.04 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.50 2tga s SER 139 Cb -0.15 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2tga s SER 139 CO -0.02 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.85 2tga n GLY 140 N -0.30 0.26 0.14 7.32 0.00 -0.23 -4.26 105.19 108.12 2tga n GLY 140 Ca -0.08 -1.07 0.07 0.00 0.00 0.00 0.00 46.02 44.95 2tga n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2tga n TRP 141 N -0.54 0.00 -1.84 1.61 8.01 -1.25 -0.33 117.44 123.09 2tga n TRP 141 Ca 0.00 0.00 -0.14 0.00 -1.31 0.00 0.00 57.50 56.05 2tga n TRP 141 Cb 0.00 0.00 0.09 0.00 -2.01 0.00 0.00 31.31 29.39 2tga n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2tga n GLY 142 N 1.25 -0.55 3.38 6.99 0.00 -1.15 -3.89 105.19 111.22 2tga n GLY 142 Ca 0.04 -1.81 -0.61 0.00 0.00 0.00 0.00 46.02 43.65 2tga n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2tga n ASN 143 N -3.26 0.99 -0.08 1.61 2.85 -0.88 -0.51 115.26 115.97 2tga n ASN 143 Ca 0.09 1.08 0.12 0.00 -0.11 0.00 0.00 54.58 55.76 2tga n ASN 143 Cb 0.30 -0.80 0.28 0.00 1.24 0.00 0.00 39.78 40.80 2tga n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2tga n THR 144 N 3.41 0.00 -4.65 -0.44 -2.24 -0.64 -1.93 114.28 107.79 2tga n THR 144 Ca 0.27 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.67 2tga n THR 144 Cb -0.04 0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 2tga n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2tga s LYS 145 N -2.83 3.28 0.31 -0.78 -0.14 -1.26 -4.35 119.74 113.97 2tga s LYS 145 Ca 0.15 -0.61 0.15 0.00 -1.36 0.00 0.00 55.97 54.30 2tga s LYS 145 Cb 0.18 -2.68 0.43 0.00 -1.68 0.00 0.00 37.83 34.08 2tga s LYS 145 CO 0.65 0.34 1.62 0.66 -0.76 0.00 0.00 175.35 177.86 2tga h SER 146 N 6.31 0.00 -3.06 2.83 4.64 -1.91 -3.41 113.55 118.95 2tga h SER 146 Ca -0.33 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.48 2tga h SER 146 Cb 1.19 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.88 2tga h SER 146 CO 0.57 0.51 -0.76 -0.44 -0.87 0.00 0.00 176.83 175.83 2tga s SER 147 N -6.56 3.05 0.00 4.97 0.01 -1.26 -4.65 113.70 109.26 2tga s SER 147 Ca 0.00 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2tga s SER 147 Cb 0.11 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2tga s SER 147 CO 0.72 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2tga n GLY 148 N 5.15 -0.95 2.80 3.44 0.00 -1.26 -5.01 105.19 109.35 2tga n GLY 148 Ca -0.07 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.50 2tga n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2tga s THR 149 N -0.10 0.82 -0.25 2.61 2.01 -1.26 -4.74 115.64 114.73 2tga s THR 149 Ca 0.00 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 2tga s THR 149 Cb 0.00 -1.24 0.11 0.00 0.01 0.00 0.00 72.50 71.39 2tga s THR 149 CO 0.00 -0.15 0.24 -0.55 -0.69 0.00 0.00 174.62 173.47 2tga s SER 150 N 1.72 1.84 -0.35 3.53 0.15 -1.26 -5.04 113.70 114.30 2tga s SER 150 Ca -0.02 -0.62 -0.15 0.00 0.70 0.00 0.00 55.95 55.86 2tga s SER 150 Cb -0.17 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 2tga s SER 150 CO -0.07 -0.37 0.37 -0.31 1.20 0.00 0.00 173.24 174.05 2tga s TYR 151 N 2.31 3.21 0.48 3.44 2.02 -1.26 -1.62 117.35 125.92 2tga s TYR 151 Ca 0.08 -0.07 -0.21 0.00 -0.37 0.00 0.00 57.07 56.50 2tga s TYR 151 Cb -0.15 -2.69 -0.08 0.00 -0.40 0.00 0.00 41.96 38.64 2tga s TYR 151 CO -0.25 -0.46 1.09 -1.25 -1.57 0.00 0.00 175.55 173.11 2tga s PRO 152 N 2.02 3.76 0.12 -1.71 0.04 -1.25 -4.99 135.00 132.99 2tga s PRO 152 Ca 0.12 1.55 0.23 0.00 0.04 0.00 0.00 61.00 62.94 2tga s PRO 152 Cb -0.17 -2.24 0.06 0.00 0.04 0.00 0.00 34.50 32.19 2tga s PRO 152 CO 0.12 -0.50 1.05 -0.25 0.04 0.00 0.00 177.00 177.46 2tga n ASP 153 N -0.75 0.67 -4.78 6.66 8.00 -1.26 -4.75 116.55 120.34 2tga n ASP 153 Ca 0.08 0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.44 2tga n ASP 153 Cb 0.50 0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 42.17 2tga n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2tga s VAL 154 N -3.28 4.31 0.12 2.53 -7.23 -1.26 -1.26 120.40 114.32 2tga s VAL 154 Ca 0.02 -1.33 -0.31 0.00 -1.81 0.00 0.00 61.98 58.54 2tga s VAL 154 Cb 0.12 -3.26 -0.09 0.00 0.56 0.00 0.00 36.38 33.71 2tga s VAL 154 CO 0.79 -0.24 1.62 -0.22 -0.31 0.00 0.00 175.10 176.73 2tga s LEU 155 N -3.48 4.37 0.18 1.32 0.20 -1.21 -4.68 118.68 115.39 2tga s LEU 155 Ca 0.31 2.56 0.10 0.00 0.69 0.00 0.00 54.13 57.79 2tga s LEU 155 Cb -0.09 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 42.05 2tga s LEU 155 CO 0.23 -0.86 -0.16 -1.59 -0.29 0.00 0.00 176.35 173.68 2tga s LYS 156 N 1.92 1.81 0.15 1.98 -2.85 0.55 -2.39 119.74 120.91 2tga s LYS 156 Ca 0.72 -1.38 0.09 0.00 -1.00 0.00 0.00 55.97 54.41 2tga s LYS 156 Cb -0.42 -2.02 -0.04 0.00 -2.06 0.00 0.00 37.83 33.29 2tga s LYS 156 CO 0.32 0.42 -0.22 0.00 0.10 0.00 0.00 175.35 175.97 2tga s LEU 158 N -2.32 0.41 -0.19 0.00 2.96 -0.35 -1.84 118.68 117.34 2tga s LEU 158 Ca 0.14 0.47 -0.14 0.00 -0.22 0.00 0.00 54.13 54.37 2tga s LEU 158 Cb -0.08 0.63 -0.04 0.00 0.50 0.00 0.00 46.19 47.19 2tga s LEU 158 CO 0.06 -0.17 0.33 -0.54 -1.32 0.00 0.00 176.35 174.71 2tga s LYS 159 N 1.37 4.19 -0.12 1.98 1.02 -1.26 -0.76 119.74 126.16 2tga s LYS 159 Ca -0.08 0.10 -0.11 0.00 0.02 0.00 0.00 55.97 55.90 2tga s LYS 159 Cb -0.11 -3.50 0.03 0.00 -0.52 0.00 0.00 37.83 33.74 2tga s LYS 159 CO -0.08 0.08 0.31 0.00 -0.92 0.00 0.00 175.35 174.74 2tga s ALA 160 N 0.96 -0.78 0.59 5.17 0.00 -0.42 -4.97 121.76 122.31 2tga s ALA 160 Ca 0.16 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 2tga s ALA 160 Cb -0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2tga s ALA 160 CO 0.06 -0.15 1.07 -1.25 0.00 0.00 0.00 175.76 175.48 2tga s PRO 161 N 0.23 3.29 -0.09 0.00 0.04 -1.26 -0.85 135.00 136.37 2tga s PRO 161 Ca -0.01 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 2tga s PRO 161 Cb -0.03 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2tga s PRO 161 CO -0.00 -0.84 1.22 0.42 0.04 0.00 0.00 177.00 177.84 2tga s ILE 162 N -2.37 4.26 0.64 0.56 1.01 -0.49 -1.64 121.20 123.17 2tga s ILE 162 Ca 0.65 1.57 -0.11 0.00 0.00 0.00 0.00 60.65 62.76 2tga s ILE 162 Cb -0.17 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2tga s ILE 162 CO 0.36 -0.04 1.04 -0.76 0.00 0.00 0.00 174.94 175.54 2tga s LEU 163 N 2.57 3.17 0.51 2.97 1.43 0.07 0.05 118.68 129.44 2tga s LEU 163 Ca 0.56 1.42 -0.20 0.00 -1.03 0.00 0.00 54.13 54.88 2tga s LEU 163 Cb -0.24 -4.41 -0.07 0.00 0.03 0.00 0.00 46.19 41.50 2tga s LEU 163 CO 0.20 -1.03 1.10 -0.94 0.23 0.00 0.00 176.35 175.91 2tga s SER 164 N -4.12 6.03 0.49 2.29 1.04 -1.26 -4.67 113.70 113.50 2tga s SER 164 Ca 0.56 2.11 0.19 0.00 0.48 0.00 0.00 55.95 59.30 2tga s SER 164 Cb -0.12 -2.58 1.24 0.00 0.10 0.00 0.00 66.02 64.66 2tga s SER 164 CO 0.54 -1.00 2.01 0.44 0.98 0.00 0.00 173.24 176.21 2tga h ASP 165 N 1.50 0.14 -0.01 7.02 3.45 -1.96 -0.88 116.42 125.69 2tga h ASP 165 Ca -0.50 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 56.97 2tga h ASP 165 Cb 1.24 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.99 2tga h ASP 165 CO 0.58 0.09 0.00 0.28 -1.57 0.00 0.00 179.24 178.62 2tga h SER 166 N 0.16 0.01 0.16 6.45 0.02 -1.99 0.18 113.55 118.53 2tga h SER 166 Ca 0.23 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2tga h SER 166 Cb 0.69 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2tga h SER 166 CO -0.03 0.16 -0.20 -1.28 -1.14 0.00 0.00 176.83 174.34 2tga h SER 167 N -0.15 0.08 0.14 3.07 0.87 -1.78 -0.64 113.55 115.14 2tga h SER 167 Ca 0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2tga h SER 167 Cb 0.16 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2tga h SER 167 CO -0.00 0.29 -0.07 0.00 -0.53 0.00 0.00 176.83 176.52 2tga h LYS 169 N -0.87 0.00 0.00 0.00 1.57 -0.53 -2.19 116.57 114.55 2tga h LYS 169 Ca -0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 2tga h LYS 169 Cb 0.53 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2tga h LYS 169 CO 0.03 0.17 -0.61 0.66 -0.57 0.00 0.00 179.45 179.13 2tga h SER 170 N 0.00 0.00 1.16 0.86 4.64 -1.18 -2.49 113.55 116.54 2tga h SER 170 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 2tga h SER 170 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2tga h SER 170 CO 0.02 0.61 -0.74 0.00 -0.87 0.00 0.00 176.83 175.85 2tga h ALA 171 N 1.39 0.56 -2.23 5.18 0.00 -1.38 -3.37 119.26 119.42 2tga h ALA 171 Ca -0.01 -0.67 -0.58 0.00 0.00 0.00 0.00 54.91 53.65 2tga h ALA 171 Cb 1.08 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.35 2tga h ALA 171 CO 0.08 0.92 -0.88 0.66 0.00 0.00 0.00 179.25 180.03 2tga n TYR 172 N -3.34 1.11 -1.68 0.00 4.02 -1.09 -4.93 117.16 111.24 2tga n TYR 172 Ca 0.01 -3.78 -0.44 0.00 -0.01 0.00 0.00 57.90 53.69 2tga n TYR 172 Cb 0.81 -0.34 -0.03 0.00 -0.02 0.00 0.00 39.34 39.75 2tga n TYR 172 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2tga n PRO 173 N 1.53 2.67 -1.09 -0.72 -0.05 -0.95 -1.69 135.00 134.69 2tga n PRO 173 Ca 0.25 0.97 -0.03 0.00 -0.05 0.00 0.00 63.50 64.64 2tga n PRO 173 Cb 0.47 -2.87 -0.01 0.00 -0.05 0.00 0.00 33.50 31.04 2tga n PRO 173 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2tga n GLY 174 N 4.29 0.57 0.03 0.55 0.00 -1.26 -4.85 105.19 104.51 2tga n GLY 174 Ca 0.19 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.00 2tga n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2tga n GLN 175 N -1.81 1.03 -3.25 1.61 6.02 -0.68 -4.99 117.38 115.31 2tga n GLN 175 Ca -0.03 -0.07 -0.39 0.00 -0.01 0.00 0.00 57.00 56.50 2tga n GLN 175 Cb 0.24 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 30.14 2tga n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2tga s ILE 176 N -2.66 5.14 0.40 5.09 -1.09 -1.23 -5.02 121.20 121.84 2tga s ILE 176 Ca -0.05 1.04 0.05 0.00 -2.23 0.00 0.00 60.65 59.46 2tga s ILE 176 Cb 0.06 -3.86 0.05 0.00 -1.58 0.00 0.00 42.46 37.13 2tga s ILE 176 CO 0.51 0.27 0.41 0.35 -1.23 0.00 0.00 174.94 175.26 2tga n THR 177 N 3.91 0.00 0.29 2.92 -2.24 -1.26 -5.02 114.28 112.88 2tga n THR 177 Ca -0.05 -1.49 0.16 0.00 -2.27 0.00 0.00 64.05 60.40 2tga n THR 177 Cb 0.51 -0.36 0.91 0.00 -2.10 0.00 0.00 70.33 69.29 2tga n THR 177 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2tga h SER 178 N 0.31 0.00 -0.58 3.42 4.64 -2.03 -2.82 113.55 116.49 2tga h SER 178 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2tga h SER 178 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2tga h SER 178 CO 0.34 0.04 0.00 0.59 -0.87 0.00 0.00 176.83 176.93 2tga n ASN 179 N -3.59 3.36 -4.22 4.97 3.02 -1.26 -4.91 115.26 112.63 2tga n ASN 179 Ca -0.02 -2.08 -0.21 0.00 -0.03 0.00 0.00 54.58 52.23 2tga n ASN 179 Cb 0.14 -0.43 -0.13 0.00 -0.61 0.00 0.00 39.78 38.76 2tga n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2tga s MET 180 N -1.34 1.01 0.16 3.52 -1.94 -1.06 -1.00 119.30 118.64 2tga s MET 180 Ca 0.40 -1.01 0.02 0.00 -1.71 0.00 0.00 55.69 53.38 2tga s MET 180 Cb 0.22 -1.13 -0.04 0.00 2.01 0.00 0.00 34.83 35.88 2tga s MET 180 CO 0.25 0.26 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.93 2tga s PHE 181 N -1.13 1.13 0.04 -0.03 -0.12 -0.60 -4.80 117.98 112.48 2tga s PHE 181 Ca 0.03 -1.01 0.04 0.00 -0.05 0.00 0.00 56.93 55.94 2tga s PHE 181 Cb -0.10 -0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 2tga s PHE 181 CO 0.03 -0.21 -0.05 0.00 -0.05 0.00 0.00 175.22 174.94 2tga s ALA 183 N -1.12 0.17 0.00 0.00 0.00 -0.96 -0.75 121.76 119.10 2tga s ALA 183 Ca 0.20 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2tga s ALA 183 Cb -0.11 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2tga s ALA 183 CO 0.11 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.08 2tga n GLY 184 N 1.32 0.20 3.24 0.00 0.00 -0.65 -2.60 105.19 106.69 2tga n GLY 184 Ca -0.22 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 2tga n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2tga s TYR 184 N 0.00 2.53 -0.22 1.61 1.51 -1.26 -4.52 117.35 117.00 2tga s TYR 184 Ca 0.00 -0.92 0.27 0.00 -1.01 0.00 0.00 57.07 55.41 2tga s TYR 184 Cb 0.00 -1.68 1.21 0.00 -0.11 0.00 0.00 41.96 41.38 2tga s TYR 184 CO 0.00 -0.34 1.81 -0.07 -1.11 0.00 0.00 175.55 175.84 2tga h LEU 185 N 6.48 0.00 0.00 -1.29 3.38 -1.96 -2.08 115.31 119.83 2tga h LEU 185 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2tga h LEU 185 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2tga h LEU 185 CO 0.47 0.00 -0.52 -1.84 0.09 0.00 0.00 178.44 176.65 2tga n GLU 186 N -2.48 0.18 0.00 1.13 0.28 -1.26 -0.24 120.64 118.25 2tga n GLU 186 Ca 0.01 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2tga n GLU 186 Cb 0.19 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.45 2tga n GLU 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2tga n GLY 187 N 1.40 -1.06 2.42 -1.84 0.00 -0.78 -4.17 105.19 101.16 2tga n GLY 187 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2tga n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tga n GLY 188 N 0.00 1.96 3.09 -0.02 0.00 0.35 -4.84 105.19 105.74 2tga n GLY 188 Ca 0.00 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 2tga n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tga s LYS 188 N 0.00 2.43 0.15 1.61 1.02 -1.26 -3.90 119.74 119.79 2tga s LYS 188 Ca 0.00 -1.22 -0.24 0.00 0.02 0.00 0.00 55.97 54.53 2tga s LYS 188 Cb 0.00 -2.83 0.06 0.00 -0.52 0.00 0.00 37.83 34.55 2tga s LYS 188 CO 0.00 -0.49 0.74 0.34 -0.92 0.00 0.00 175.35 175.03 2tga s ASP 189 N 1.15 -0.39 -0.20 2.83 3.68 -0.10 -4.38 116.67 119.25 2tga s ASP 189 Ca -0.06 -0.21 0.00 0.00 2.13 0.00 0.00 52.55 54.41 2tga s ASP 189 Cb -0.18 0.57 0.02 0.00 -1.45 0.00 0.00 42.92 41.88 2tga s ASP 189 CO -0.07 -0.98 -0.15 -0.94 0.13 0.00 0.00 175.17 173.17 2tga s SER 190 N -2.76 3.61 -0.29 -0.34 1.04 -1.26 -1.16 113.70 112.53 2tga s SER 190 Ca 0.06 -0.72 -0.13 0.00 0.48 0.00 0.00 55.95 55.64 2tga s SER 190 Cb -0.02 -1.55 0.13 0.00 0.10 0.00 0.00 66.02 64.67 2tga s SER 190 CO -0.05 -0.04 0.76 0.00 0.98 0.00 0.00 173.24 174.89 2tga n GLN 192 N 4.92 0.00 -0.89 0.00 6.02 -1.26 -4.62 117.38 121.54 2tga n GLN 192 Ca -0.14 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 56.91 2tga n GLN 192 Cb 0.53 -4.36 0.39 0.00 1.02 0.00 0.00 30.24 27.82 2tga n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2tga n GLY 193 N -2.00 3.11 0.00 1.08 0.00 -1.26 -2.08 105.19 104.04 2tga n GLY 193 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2tga n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2tga n ASP 194 N 0.50 0.00 -4.67 1.61 10.43 -1.26 -2.95 116.55 120.21 2tga n ASP 194 Ca 0.29 0.00 -0.44 0.00 2.57 0.00 0.00 54.79 57.20 2tga n ASP 194 Cb 1.20 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 44.14 2tga n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2tga n SER 195 N 0.00 2.65 0.00 -2.24 7.64 -1.26 -1.88 113.62 118.53 2tga n SER 195 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2tga n SER 195 Cb 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 2tga n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2tga n GLY 196 N 1.83 1.55 3.79 0.23 0.00 -0.00 -0.59 105.19 111.99 2tga n GLY 196 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2tga n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2tga s GLY 197 N -2.00 1.72 0.54 -0.02 0.00 -0.79 -3.48 107.32 103.28 2tga s GLY 197 Ca 0.00 0.21 -0.19 0.00 0.00 0.00 0.00 44.72 44.74 2tga s GLY 197 CO 0.00 0.54 1.09 2.56 0.00 0.00 0.00 173.10 177.29 2tga s PRO 198 N -4.88 3.46 -0.30 2.90 0.04 -1.26 -0.83 135.00 134.13 2tga s PRO 198 Ca 0.60 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 2tga s PRO 198 Cb -0.16 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.45 2tga s PRO 198 CO 0.54 -0.74 0.09 0.08 0.04 0.00 0.00 177.00 177.01 2tga s VAL 199 N -1.92 0.94 -0.25 -0.36 1.01 -0.52 -2.93 120.40 116.36 2tga s VAL 199 Ca 0.70 -1.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 2tga s VAL 199 Cb -0.21 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2tga s VAL 199 CO 0.26 -0.64 0.06 -0.69 0.00 0.00 0.00 175.10 174.09 2tga s VAL 200 N 1.59 4.16 -0.10 2.92 1.01 -0.14 -0.77 120.40 129.07 2tga s VAL 200 Ca 0.09 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2tga s VAL 200 Cb -0.17 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.26 2tga s VAL 200 CO -0.23 0.33 -0.16 0.00 0.00 0.00 0.00 175.10 175.04 2tga n SER 202 N 4.07 -0.93 0.00 0.00 7.64 -1.26 -1.71 113.62 121.43 2tga n SER 202 Ca -0.20 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.64 2tga n SER 202 Cb 0.51 -2.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.94 2tga n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2tga n GLY 203 N -1.91 0.76 3.36 0.23 0.00 -1.26 -5.02 105.19 101.34 2tga n GLY 203 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 2tga n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tga s LYS 204 N -0.05 1.38 -0.62 1.61 3.01 -0.69 -4.27 119.74 120.11 2tga s LYS 204 Ca 0.00 -1.27 -0.27 0.00 -1.01 0.00 0.00 55.97 53.42 2tga s LYS 204 Cb 0.00 -1.78 -0.01 0.00 -1.01 0.00 0.00 37.83 35.03 2tga s LYS 204 CO 0.00 0.42 1.73 -1.17 0.51 0.00 0.00 175.35 176.84 2tga s LEU 209 N -1.91 3.28 -0.06 3.17 2.96 -0.19 -0.88 118.68 125.05 2tga s LEU 209 Ca 0.12 0.24 0.21 0.00 -0.22 0.00 0.00 54.13 54.48 2tga s LEU 209 Cb -0.10 -2.61 -0.32 0.00 0.50 0.00 0.00 46.19 43.65 2tga s LEU 209 CO 0.05 -2.21 0.40 0.00 -1.32 0.00 0.00 176.35 173.27 2tga n GLN 210 N 9.15 0.67 -4.11 1.98 1.13 0.05 -4.18 117.38 122.07 2tga n GLN 210 Ca 0.17 -0.16 -0.09 0.00 -1.94 0.00 0.00 57.00 54.98 2tga n GLN 210 Cb 0.51 -1.52 -0.10 0.00 0.11 0.00 0.00 30.24 29.24 2tga n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2tga s GLY 211 N -4.71 0.79 -0.06 1.08 0.00 -0.49 -2.18 107.32 101.75 2tga s GLY 211 Ca -0.08 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 43.30 2tga s GLY 211 CO 0.89 -1.31 -0.07 -0.42 0.00 0.00 0.00 173.10 172.19 2tga s ILE 212 N -4.00 0.80 -0.27 0.90 1.01 -1.07 -1.44 121.20 117.13 2tga s ILE 212 Ca 0.19 -0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.30 2tga s ILE 212 Cb 0.07 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 2tga s ILE 212 CO -0.02 0.29 2.20 -0.69 0.00 0.00 0.00 174.94 176.72 2tga s VAL 213 N 1.00 3.06 -0.02 2.92 1.01 -0.01 -0.56 120.40 127.81 2tga s VAL 213 Ca -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 2tga s VAL 213 Cb -0.14 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 2tga s VAL 213 CO -0.00 -0.06 -0.05 -0.24 0.00 0.00 0.00 175.10 174.75 2tga n SER 214 N 12.09 0.28 -1.10 3.32 2.88 -0.85 -0.82 113.62 129.42 2tga n SER 214 Ca 0.30 0.05 -0.01 0.00 -1.33 0.00 0.00 58.87 57.88 2tga n SER 214 Cb 0.46 -0.47 -0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2tga n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2tga n TRP 215 N -2.78 -0.57 0.00 0.66 4.27 -0.83 -4.89 117.44 113.30 2tga n TRP 215 Ca -0.02 -0.12 0.00 0.00 -3.89 0.00 0.00 57.50 53.47 2tga n TRP 215 Cb 0.07 0.03 0.00 0.00 -1.36 0.00 0.00 31.31 30.05 2tga n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2tga n GLY 216 N -0.03 3.38 3.60 -1.67 0.00 -1.26 -0.56 105.19 108.64 2tga n GLY 216 Ca -0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2tga n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2tga s SER 217 N 0.00 6.40 0.26 1.61 0.15 -1.26 -4.70 113.70 116.16 2tga s SER 217 Ca 0.00 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2tga s SER 217 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2tga s SER 217 CO 0.00 -1.39 0.00 0.61 1.20 0.00 0.00 173.24 173.66 2tga n GLY 219 N 5.02 -0.12 2.85 9.45 0.00 -1.26 -4.70 105.19 116.43 2tga n GLY 219 Ca 0.16 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 2tga n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tga n ALA 221 N 5.27 -0.90 -1.87 0.00 0.00 -1.26 -4.63 120.51 117.12 2tga n ALA 221 Ca -0.06 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 2tga n ALA 221 Cb 0.50 -2.76 -0.05 0.00 0.00 0.00 0.00 19.45 17.14 2tga n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2tga s GLN 221 N -5.54 4.06 -0.04 0.00 1.11 -1.25 -0.49 119.66 117.52 2tga s GLN 221 Ca 0.22 0.98 -0.30 0.00 0.01 0.00 0.00 55.36 56.27 2tga s GLN 221 Cb -0.11 -2.18 -0.06 0.00 -1.01 0.00 0.00 33.01 29.65 2tga s GLN 221 CO 0.27 -0.13 1.76 0.21 0.01 0.00 0.00 175.29 177.40 2tga s LYS 222 N -3.62 4.14 -1.26 2.91 2.20 -1.26 -1.19 119.74 121.66 2tga s LYS 222 Ca 0.60 2.29 -0.00 0.00 -0.36 0.00 0.00 55.97 58.50 2tga s LYS 222 Cb -0.10 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 2tga s LYS 222 CO 0.23 -0.92 0.04 0.09 -0.36 0.00 0.00 175.35 174.43 2tga n ASN 223 N 7.38 -4.55 -3.62 1.43 3.02 0.67 -4.93 115.26 114.65 2tga n ASN 223 Ca 0.18 -0.03 -0.28 0.00 -0.03 0.00 0.00 54.58 54.42 2tga n ASN 223 Cb 0.42 -3.67 -0.12 0.00 -0.61 0.00 0.00 39.78 35.81 2tga n ASN 223 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2tga s LYS 224 N -4.81 1.40 1.03 3.52 -0.14 -0.33 -4.67 119.74 115.73 2tga s LYS 224 Ca 0.02 -2.34 -0.14 0.00 -1.36 0.00 0.00 55.97 52.15 2tga s LYS 224 Cb -0.01 -2.20 0.20 0.00 -1.68 0.00 0.00 37.83 34.14 2tga s LYS 224 CO 0.03 -1.28 1.11 -1.25 -0.76 0.00 0.00 175.35 173.20 2tga s PRO 225 N -0.17 0.21 0.45 -1.68 0.04 -1.26 -3.87 135.00 128.71 2tga s PRO 225 Ca 0.25 0.32 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 2tga s PRO 225 Cb -0.09 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 2tga s PRO 225 CO -0.12 -2.83 0.89 0.20 0.04 0.00 0.00 177.00 175.18 2tga s GLY 226 N -3.69 2.10 -0.16 0.56 0.00 -1.07 -4.60 107.32 100.45 2tga s GLY 226 Ca 0.66 0.07 0.01 0.00 0.00 0.00 0.00 44.72 45.47 2tga s GLY 226 CO 0.56 0.31 -0.20 0.14 0.00 0.00 0.00 173.10 173.92 2tga s VAL 227 N -2.42 2.22 0.06 1.40 1.01 0.28 -2.26 120.40 120.68 2tga s VAL 227 Ca 0.56 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.71 2tga s VAL 227 Cb -0.10 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2tga s VAL 227 CO 0.28 0.54 -0.21 -0.31 0.00 0.00 0.00 175.10 175.39 2tga s TYR 228 N 0.99 2.48 -0.07 5.22 2.02 0.51 -1.97 117.35 126.53 2tga s TYR 228 Ca -0.03 -0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 2tga s TYR 228 Cb -0.15 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 2tga s TYR 228 CO -0.05 0.25 1.36 0.99 -1.57 0.00 0.00 175.55 176.53 2tga s THR 229 N -0.94 3.96 -1.20 -0.71 2.01 0.28 -1.55 115.64 117.49 2tga s THR 229 Ca 0.14 1.26 -0.19 0.00 0.31 0.00 0.00 61.69 63.22 2tga s THR 229 Cb -0.10 -3.81 0.08 0.00 0.01 0.00 0.00 72.50 68.67 2tga s THR 229 CO 0.05 -0.05 1.61 -0.75 -0.69 0.00 0.00 174.62 174.79 2tga s LYS 230 N 2.93 3.87 0.51 4.92 2.20 -0.17 -2.60 119.74 131.41 2tga s LYS 230 Ca 0.61 -1.80 0.32 0.00 -0.36 0.00 0.00 55.97 54.74 2tga s LYS 230 Cb -0.28 -5.43 1.45 0.00 -1.51 0.00 0.00 37.83 32.07 2tga s LYS 230 CO 0.23 -2.18 1.82 0.28 -0.36 0.00 0.00 175.35 175.13 2tga h VAL 231 N 5.84 0.46 0.00 4.02 2.07 -1.75 -2.09 116.25 124.80 2tga h VAL 231 Ca 0.36 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.85 2tga h VAL 231 Cb 0.91 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2tga h VAL 231 CO 1.42 0.01 0.00 0.00 0.02 0.00 0.00 177.57 179.02 2tga h ASN 233 N 0.00 0.00 -0.01 0.00 2.35 -1.77 -3.33 115.58 112.81 2tga h ASN 233 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2tga h ASN 233 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2tga h ASN 233 CO 0.00 0.00 -0.01 -1.22 -1.65 0.00 0.00 177.43 174.55 2tga n TYR 234 N -2.89 0.00 0.06 1.19 4.01 0.44 -4.75 117.16 115.23 2tga n TYR 234 Ca 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 2tga n TYR 234 Cb 0.40 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 39.87 2tga n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2tga h VAL 235 N 2.13 1.11 -0.38 -0.72 2.07 -1.67 0.17 116.25 118.96 2tga h VAL 235 Ca 0.00 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 2tga h VAL 235 Cb 0.46 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2tga h VAL 235 CO 0.00 0.13 -0.18 0.28 0.02 0.00 0.00 177.57 177.82 2tga h SER 236 N 0.41 0.82 -0.39 0.57 0.02 -1.89 -0.85 113.55 112.24 2tga h SER 236 Ca 0.10 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2tga h SER 236 Cb 0.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2tga h SER 236 CO -0.01 1.04 0.22 -0.25 -1.14 0.00 0.00 176.83 176.69 2tga h TRP 237 N 0.59 0.52 -0.27 3.45 7.01 -1.76 -1.73 115.95 123.77 2tga h TRP 237 Ca 0.09 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 2tga h TRP 237 Cb 0.73 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 2tga h TRP 237 CO 0.06 0.39 0.13 0.82 -2.79 0.00 0.00 178.44 177.05 2tga h ILE 238 N 0.50 1.14 -0.37 2.65 2.04 -0.80 0.02 117.51 122.69 2tga h ILE 238 Ca 0.14 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 2tga h ILE 238 Cb 0.03 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2tga h ILE 238 CO -0.02 0.14 -0.15 0.11 0.00 0.00 0.00 178.15 178.23 2tga h LYS 239 N 0.31 0.67 -0.20 2.37 1.57 -1.05 -0.87 116.57 119.36 2tga h LYS 239 Ca 0.09 -0.22 -0.21 0.00 -1.87 0.00 0.00 60.65 58.44 2tga h LYS 239 Cb 0.11 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.37 2tga h LYS 239 CO -0.01 0.78 -0.68 0.37 -0.57 0.00 0.00 179.45 179.34 2tga h GLN 240 N 0.60 0.81 -0.25 3.15 5.75 -1.22 -2.76 115.11 121.19 2tga h GLN 240 Ca 0.10 -0.61 -0.06 0.00 -0.15 0.00 0.00 58.65 57.93 2tga h GLN 240 Cb 0.59 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 2tga h GLN 240 CO 0.04 1.22 -0.08 1.15 -2.65 0.00 0.00 178.83 178.51 2tga h THR 241 N 0.55 1.29 -0.71 2.39 2.02 -0.77 -2.53 112.91 115.16 2tga h THR 241 Ca -0.03 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 2tga h THR 241 Cb 1.31 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 69.18 2tga h THR 241 CO 0.14 0.35 0.28 0.40 0.37 0.00 0.00 175.52 177.06 2tga h ILE 242 N 0.24 1.25 0.00 3.11 2.04 -1.23 -2.20 117.51 120.71 2tga h ILE 242 Ca 0.06 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2tga h ILE 242 Cb 0.57 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2tga h ILE 242 CO 0.03 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.49 2tga h ALA 243 N 1.13 1.00 -0.03 1.87 0.00 -1.46 -2.83 119.26 118.94 2tga h ALA 243 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2tga h ALA 243 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2tga h ALA 243 CO -0.02 0.00 -0.08 0.43 0.00 0.00 0.00 179.25 179.58 2tga n SER 244 N -2.86 2.83 0.00 0.00 7.64 -0.88 -5.10 113.62 115.25 2tga n SER 244 Ca 0.02 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.99 2tga n SER 244 Cb 0.37 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2tga n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62