#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tio s VAL 17 N 0.00 5.30 -0.98 1.39 1.01 0.29 -4.01 120.40 123.39 2tio s VAL 17 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2tio s VAL 17 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2tio s VAL 17 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2tio n GLY 18 N 3.63 1.09 0.00 4.51 0.00 -1.24 -1.93 105.19 111.26 2tio n GLY 18 Ca -0.16 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2tio n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tio n GLY 19 N -1.83 1.26 3.17 -0.02 0.00 -1.26 -4.87 105.19 101.64 2tio n GLY 19 Ca -0.09 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 2tio n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2tio s TYR 20 N 1.62 0.54 -0.05 1.61 1.13 0.14 -4.92 117.35 117.42 2tio s TYR 20 Ca 0.00 -0.98 -0.30 0.00 -1.41 0.00 0.00 57.07 54.38 2tio s TYR 20 Cb 0.00 -0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 40.50 2tio s TYR 20 CO 0.00 -0.51 1.55 0.99 -2.51 0.00 0.00 175.55 175.07 2tio s THR 21 N -3.96 3.67 0.15 -3.49 2.01 -1.26 0.17 115.64 112.94 2tio s THR 21 Ca 0.14 0.89 -0.15 0.00 0.31 0.00 0.00 61.69 62.88 2tio s THR 21 Cb 0.07 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 69.04 2tio s THR 21 CO -0.05 -0.06 1.75 0.00 -0.69 0.00 0.00 174.62 175.57 2tio n GLY 23 N -0.96 3.04 3.68 0.00 0.00 -1.26 -4.83 105.19 104.87 2tio n GLY 23 Ca 0.02 -1.60 -0.50 0.00 0.00 0.00 0.00 46.02 43.94 2tio n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tio n ALA 24 N 0.48 0.64 -1.92 4.61 0.00 -1.26 -2.60 120.51 120.46 2tio n ALA 24 Ca 0.00 0.35 -0.21 0.00 0.00 0.00 0.00 53.44 53.58 2tio n ALA 24 Cb 0.00 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 2tio n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2tio n ASN 25 N 5.42 -5.69 0.02 0.00 4.13 -1.26 -4.85 115.26 113.03 2tio n ASN 25 Ca 0.22 0.31 0.13 0.00 1.68 0.00 0.00 54.58 56.92 2tio n ASN 25 Cb 0.26 -4.91 0.46 0.00 -1.54 0.00 0.00 39.78 34.04 2tio n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2tio n THR 26 N -3.03 0.14 -3.54 3.41 -2.24 -1.07 -4.00 114.28 103.96 2tio n THR 26 Ca -0.23 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.21 2tio n THR 26 Cb 0.69 -0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 68.51 2tio n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2tio n VAL 27 N -1.69 1.17 0.33 2.28 0.31 -1.26 -4.99 118.33 114.48 2tio n VAL 27 Ca 0.06 -4.68 0.21 0.00 -0.01 0.00 0.00 64.34 59.92 2tio n VAL 27 Cb 0.36 -2.05 1.10 0.00 -0.91 0.00 0.00 33.84 32.35 2tio n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2tio h PRO 28 N 4.73 0.00 -0.00 5.55 0.13 -1.77 -2.48 132.00 138.16 2tio h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2tio h PRO 28 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2tio h PRO 28 CO 0.68 0.00 -0.51 2.48 -0.23 0.00 0.00 178.00 180.42 2tio n TYR 29 N -3.07 0.00 -2.40 1.56 0.18 -1.12 -2.11 117.16 110.21 2tio n TYR 29 Ca -0.03 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.33 2tio n TYR 29 Cb 0.16 -0.19 -0.03 0.00 -0.38 0.00 0.00 39.34 38.91 2tio n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 2tio s GLN 30 N -2.88 4.38 0.26 -3.48 2.00 -0.94 -0.55 119.66 118.46 2tio s GLN 30 Ca 0.14 1.78 0.12 0.00 -2.00 0.00 0.00 55.36 55.39 2tio s GLN 30 Cb 0.18 -3.43 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 2tio s GLN 30 CO 0.68 -0.36 -0.21 0.14 -0.50 0.00 0.00 175.29 175.04 2tio s VAL 31 N 1.58 2.45 -0.14 1.34 -7.23 -0.42 -4.45 120.40 113.51 2tio s VAL 31 Ca 0.59 -2.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2tio s VAL 31 Cb -0.29 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 2tio s VAL 31 CO 0.27 -0.35 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.02 2tio s SER 32 N -3.34 3.80 -0.30 4.85 0.15 -0.67 -2.19 113.70 115.99 2tio s SER 32 Ca 0.28 -0.41 -0.19 0.00 0.70 0.00 0.00 55.95 56.33 2tio s SER 32 Cb -0.06 -1.58 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 2tio s SER 32 CO 0.14 0.12 0.57 -0.76 1.20 0.00 0.00 173.24 174.51 2tio s LEU 33 N 0.59 4.16 -0.04 3.45 1.43 0.27 -1.15 118.68 127.39 2tio s LEU 33 Ca -0.08 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 2tio s LEU 33 Cb -0.16 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2tio s LEU 33 CO 0.03 -0.42 -0.23 0.21 0.23 0.00 0.00 176.35 176.17 2tio s ASN 34 N 1.65 3.32 -0.30 2.29 3.84 -0.13 -1.72 114.94 123.88 2tio s ASN 34 Ca 0.22 -0.41 0.20 0.00 0.21 0.00 0.00 52.86 53.08 2tio s ASN 34 Cb -0.15 -0.65 0.48 0.00 -0.55 0.00 0.00 41.25 40.37 2tio s ASN 34 CO 0.11 0.30 1.02 -1.54 -2.79 0.00 0.00 177.10 174.20 2tio n SER 37 N 2.61 1.52 0.00 -4.21 3.41 -1.26 -1.32 113.62 114.36 2tio n SER 37 Ca -0.17 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 2tio n SER 37 Cb 0.52 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2tio n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2tio n GLY 38 N -0.28 0.56 3.57 5.00 0.00 -1.26 -4.99 105.19 107.78 2tio n GLY 38 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 2tio n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2tio s TYR 39 N -2.27 -0.21 -0.14 1.61 1.13 -1.26 -5.14 117.35 111.07 2tio s TYR 39 Ca 0.00 0.15 -0.29 0.00 -1.41 0.00 0.00 57.07 55.51 2tio s TYR 39 Cb 0.00 0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 41.37 2tio s TYR 39 CO 0.00 -0.32 1.07 -1.58 -2.51 0.00 0.00 175.55 172.22 2tio s HIS 40 N -2.55 3.34 -0.01 -3.49 5.65 -1.26 -4.31 115.29 112.67 2tio s HIS 40 Ca 0.07 1.44 0.01 0.00 0.25 0.00 0.00 55.06 56.83 2tio s HIS 40 Cb -0.01 -3.28 -0.01 0.00 -1.18 0.00 0.00 32.58 28.10 2tio s HIS 40 CO -0.06 -0.61 0.01 1.97 -0.65 0.00 0.00 174.74 175.40 2tio n PHE 41 N 5.61 0.00 -3.66 3.88 1.16 -0.70 -5.01 117.46 118.74 2tio n PHE 41 Ca 0.11 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.58 2tio n PHE 41 Cb 0.47 -0.03 -0.05 0.00 -1.61 0.00 0.00 39.48 38.26 2tio n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2tio n GLY 43 N 0.02 1.32 3.74 0.00 0.00 0.82 -0.57 105.19 110.52 2tio n GLY 43 Ca -0.17 -2.10 -0.00 0.00 0.00 0.00 0.00 46.02 43.75 2tio n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2tio s GLY 44 N -3.85 -0.24 -0.04 -0.02 0.00 -0.93 -3.89 107.32 98.35 2tio s GLY 44 Ca 0.39 0.29 0.02 0.00 0.00 0.00 0.00 44.72 45.42 2tio s GLY 44 CO 0.26 1.14 -0.07 -0.56 0.00 0.00 0.00 173.10 173.87 2tio s SER 45 N -3.14 1.08 -0.20 1.64 0.01 -0.32 -1.30 113.70 111.47 2tio s SER 45 Ca 0.17 -0.16 -0.27 0.00 1.31 0.00 0.00 55.95 56.99 2tio s SER 45 Cb 0.01 -0.46 -0.00 0.00 0.21 0.00 0.00 66.02 65.78 2tio s SER 45 CO -0.00 -0.01 0.93 -0.22 0.41 0.00 0.00 173.24 174.35 2tio s LEU 46 N 0.66 4.14 -0.02 2.44 2.96 0.29 -0.42 118.68 128.72 2tio s LEU 46 Ca -0.10 1.27 0.17 0.00 -0.22 0.00 0.00 54.13 55.24 2tio s LEU 46 Cb -0.13 -3.38 -0.24 0.00 0.50 0.00 0.00 46.19 42.95 2tio s LEU 46 CO 0.01 -0.52 0.44 2.30 -1.32 0.00 0.00 176.35 177.25 2tio n ILE 47 N 5.02 0.00 -3.83 6.68 -5.35 -0.66 -0.92 119.36 120.31 2tio n ILE 47 Ca 0.08 -0.32 -0.07 0.00 -0.27 0.00 0.00 62.75 62.16 2tio n ILE 47 Cb 0.48 0.32 0.02 0.00 -1.74 0.00 0.00 39.64 38.71 2tio n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2tio s ASN 48 N -3.61 -0.04 0.46 7.28 2.20 -1.21 -4.51 114.94 115.51 2tio s ASN 48 Ca -0.03 -0.96 0.31 0.00 -0.94 0.00 0.00 52.86 51.23 2tio s ASN 48 Cb 0.11 0.76 1.66 0.00 -2.00 0.00 0.00 41.25 41.77 2tio s ASN 48 CO 0.69 -1.49 1.94 0.77 -2.94 0.00 0.00 177.10 176.07 2tio h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.96 -3.16 113.55 118.61 2tio h SER 49 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2tio h SER 49 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2tio h SER 49 CO 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.33 2tio n GLN 50 N -2.59 -0.12 -4.31 4.77 6.02 -1.26 -0.06 117.38 119.82 2tio n GLN 50 Ca -0.02 -0.56 -0.18 0.00 -0.01 0.00 0.00 57.00 56.24 2tio n GLN 50 Cb 0.06 -0.87 -0.14 0.00 1.02 0.00 0.00 30.24 30.30 2tio n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2tio s TRP 51 N -0.16 0.78 0.09 1.08 0.52 -1.20 -0.81 118.94 119.24 2tio s TRP 51 Ca 0.00 -0.18 0.09 0.00 0.02 0.00 0.00 56.10 56.03 2tio s TRP 51 Cb 0.00 -0.49 -0.03 0.00 -1.15 0.00 0.00 33.47 31.79 2tio s TRP 51 CO 0.00 -0.01 -0.24 0.08 0.02 0.00 0.00 176.95 176.79 2tio s VAL 52 N -0.33 2.02 -0.10 4.03 1.01 -0.07 -1.65 120.40 125.31 2tio s VAL 52 Ca 0.02 -1.55 0.02 0.00 0.00 0.00 0.00 61.98 60.47 2tio s VAL 52 Cb -0.04 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2tio s VAL 52 CO -0.00 0.13 -0.16 -0.69 0.00 0.00 0.00 175.10 174.38 2tio s VAL 53 N -0.99 2.82 0.00 2.92 1.01 0.44 -0.55 120.40 126.04 2tio s VAL 53 Ca 0.11 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2tio s VAL 53 Cb -0.10 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2tio s VAL 53 CO 0.04 0.55 0.00 -0.24 0.00 0.00 0.00 175.10 175.45 2tio n SER 54 N 3.24 0.00 -4.88 3.32 2.88 -0.10 -1.17 113.62 116.91 2tio n SER 54 Ca -0.18 -0.61 -0.34 0.00 -1.33 0.00 0.00 58.87 56.40 2tio n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 2tio n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2tio s ALA 55 N -1.78 3.80 0.41 -1.46 0.00 -1.26 -1.17 121.76 120.30 2tio s ALA 55 Ca 0.00 -0.51 0.11 0.00 0.00 0.00 0.00 51.96 51.56 2tio s ALA 55 Cb 0.00 -2.14 0.86 0.00 0.00 0.00 0.00 23.12 21.84 2tio s ALA 55 CO 0.00 0.63 1.95 0.00 0.00 0.00 0.00 175.76 178.34 2tio h ALA 56 N 3.78 1.58 0.00 0.00 0.00 -1.69 -1.91 119.26 121.02 2tio h ALA 56 Ca -0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2tio h ALA 56 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2tio h ALA 56 CO 0.67 0.30 0.00 -2.39 0.00 0.00 0.00 179.25 177.83 2tio n HIS 57 N -4.31 0.00 1.09 0.00 1.44 -1.26 -1.96 115.22 110.23 2tio n HIS 57 Ca -0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.82 2tio n HIS 57 Cb 0.24 -0.11 0.15 0.00 0.12 0.00 0.00 29.99 30.39 2tio n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2tio n TYR 59 N -0.61 1.74 -3.59 0.00 9.36 -0.83 -4.98 117.16 118.26 2tio n TYR 59 Ca 0.09 0.59 -0.10 0.00 3.32 0.00 0.00 57.90 61.80 2tio n TYR 59 Cb 0.39 -2.35 -0.05 0.00 -0.63 0.00 0.00 39.34 36.70 2tio n TYR 59 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2tio s LYS 60 N -1.03 0.54 0.48 2.98 2.20 -1.26 -5.15 119.74 118.50 2tio s LYS 60 Ca 0.64 0.14 -0.10 0.00 -0.36 0.00 0.00 55.97 56.29 2tio s LYS 60 Cb -0.69 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 35.83 2tio s LYS 60 CO 0.56 -0.17 0.85 -1.54 -0.36 0.00 0.00 175.35 174.69 2tio s SER 61 N -1.06 6.41 -0.53 1.43 1.04 -1.26 -4.39 113.70 115.34 2tio s SER 61 Ca -0.01 1.18 -0.02 0.00 0.48 0.00 0.00 55.95 57.59 2tio s SER 61 Cb -0.01 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2tio s SER 61 CO 0.00 -0.55 0.45 0.61 0.98 0.00 0.00 173.24 174.73 2tio n GLY 62 N -1.86 0.21 3.78 7.32 0.00 -1.26 -5.02 105.19 108.36 2tio n GLY 62 Ca 0.03 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 2tio n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2tio s ILE 63 N -3.14 5.08 -0.14 -0.61 1.01 -1.26 -4.65 121.20 117.49 2tio s ILE 63 Ca 0.11 0.93 0.01 0.00 0.00 0.00 0.00 60.65 61.70 2tio s ILE 63 Cb -0.05 -3.78 -0.00 0.00 0.01 0.00 0.00 42.46 38.64 2tio s ILE 63 CO 0.30 0.45 -0.18 -1.58 0.00 0.00 0.00 174.94 173.93 2tio s GLN 64 N -0.23 3.16 -0.22 2.79 0.74 -0.44 -1.23 119.66 124.24 2tio s GLN 64 Ca 0.25 -0.79 -0.18 0.00 0.05 0.00 0.00 55.36 54.69 2tio s GLN 64 Cb -0.16 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.40 2tio s GLN 64 CO 0.12 0.07 0.53 0.08 -0.55 0.00 0.00 175.29 175.54 2tio s VAL 65 N 0.66 5.08 -0.30 1.34 1.01 0.14 -0.96 120.40 127.37 2tio s VAL 65 Ca -0.09 0.95 -0.07 0.00 0.00 0.00 0.00 61.98 62.77 2tio s VAL 65 Cb -0.16 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2tio s VAL 65 CO 0.02 0.14 0.08 -0.13 0.00 0.00 0.00 175.10 175.21 2tio s ARG 66 N 1.90 3.05 0.22 2.72 1.81 -0.30 -0.87 118.95 127.48 2tio s ARG 66 Ca 0.23 -0.89 0.05 0.00 -1.72 0.00 0.00 55.73 53.41 2tio s ARG 66 Cb -0.15 -3.38 -0.03 0.00 -0.45 0.00 0.00 34.95 30.93 2tio s ARG 66 CO 0.09 -0.46 0.29 -0.51 -0.68 0.00 0.00 175.30 174.03 2tio s LEU 67 N 1.49 4.18 -1.47 2.53 1.43 0.33 -1.67 118.68 125.49 2tio s LEU 67 Ca 0.02 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2tio s LEU 67 Cb -0.17 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.32 2tio s LEU 67 CO 0.03 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.18 2tio n GLY 69 N -1.13 0.22 3.83 -3.19 0.00 -1.26 -1.53 105.19 102.13 2tio n GLY 69 Ca -0.08 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 2tio n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2tio s GLU 70 N -4.42 4.09 0.00 1.61 0.41 -1.26 -4.07 118.70 115.06 2tio s GLU 70 Ca 0.00 0.64 0.00 0.00 -0.41 0.00 0.00 54.97 55.20 2tio s GLU 70 Cb 0.00 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 2tio s GLU 70 CO 0.00 0.46 0.00 -3.47 -0.49 0.00 0.00 175.26 171.76 2tio n ASP 71 N 0.82 0.00 -4.59 -0.19 2.03 -1.26 -4.63 116.55 108.73 2tio n ASP 71 Ca -0.04 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.84 2tio n ASP 71 Cb 0.51 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 2tio n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2tio s ASN 72 N 0.77 6.62 0.00 1.67 3.84 -1.25 -3.26 114.94 123.32 2tio s ASN 72 Ca 0.00 0.42 0.23 0.00 0.21 0.00 0.00 52.86 53.71 2tio s ASN 72 Cb 0.00 -2.49 1.09 0.00 -0.55 0.00 0.00 41.25 39.31 2tio s ASN 72 CO 0.00 -1.04 1.74 2.30 -2.79 0.00 0.00 177.10 177.32 2tio n ILE 73 N 6.37 0.34 0.71 -5.21 -5.35 -0.09 -3.25 119.36 112.88 2tio n ILE 73 Ca 0.08 0.08 0.08 0.00 -0.27 0.00 0.00 62.75 62.73 2tio n ILE 73 Cb 0.48 -0.70 0.02 0.00 -1.74 0.00 0.00 39.64 37.70 2tio n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2tio n ASN 74 N -1.36 1.87 -4.06 7.28 3.02 -1.26 -4.97 115.26 115.78 2tio n ASN 74 Ca 0.09 -1.44 -0.17 0.00 -0.03 0.00 0.00 54.58 53.04 2tio n ASN 74 Cb 0.21 0.32 -0.13 0.00 -0.61 0.00 0.00 39.78 39.57 2tio n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2tio s VAL 75 N -1.75 0.73 -0.43 2.41 1.01 -1.20 -5.11 120.40 116.06 2tio s VAL 75 Ca 0.15 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 2tio s VAL 75 Cb 0.13 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.86 2tio s VAL 75 CO 0.35 -0.04 0.67 -0.69 0.00 0.00 0.00 175.10 175.39 2tio s VAL 76 N -0.71 4.80 -0.49 2.92 1.01 -1.26 -4.73 120.40 121.94 2tio s VAL 76 Ca -0.01 0.21 0.12 0.00 0.00 0.00 0.00 61.98 62.30 2tio s VAL 76 Cb -0.06 -4.22 -0.13 0.00 0.00 0.00 0.00 36.38 31.96 2tio s VAL 76 CO 0.00 -0.60 0.47 -0.62 0.00 0.00 0.00 175.10 174.36 2tio n GLU 77 N 6.33 2.80 0.00 2.72 1.02 -1.26 -5.10 120.64 127.14 2tio n GLU 77 Ca -0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2tio n GLU 77 Cb 0.48 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 2tio n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2tio n GLY 78 N 1.34 2.79 2.44 0.62 0.00 -1.26 -5.00 105.19 106.11 2tio n GLY 78 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2tio n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2tio n ASN 79 N 0.00 0.00 -4.80 1.61 3.02 -1.26 -4.97 115.26 108.86 2tio n ASN 79 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 2tio n ASN 79 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 2tio n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2tio s GLU 80 N -0.19 4.01 -0.07 3.52 8.01 -1.26 -4.29 118.70 128.44 2tio s GLU 80 Ca 0.00 1.33 -0.02 0.00 0.01 0.00 0.00 54.97 56.28 2tio s GLU 80 Cb 0.00 -2.23 0.03 0.00 -4.31 0.00 0.00 34.13 27.63 2tio s GLU 80 CO 0.00 -0.25 0.05 -0.65 0.01 0.00 0.00 175.26 174.42 2tio s GLN 81 N -3.03 0.16 -0.26 1.61 -0.21 -0.58 -4.98 119.66 112.37 2tio s GLN 81 Ca 0.63 0.21 -0.09 0.00 0.02 0.00 0.00 55.36 56.14 2tio s GLN 81 Cb -0.16 -0.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.95 2tio s GLN 81 CO 0.20 -0.38 0.12 -0.06 -2.12 0.00 0.00 175.29 173.05 2tio s PHE 82 N 2.10 3.15 -0.04 0.91 0.08 -1.26 -0.51 117.98 122.40 2tio s PHE 82 Ca 0.04 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.93 2tio s PHE 82 Cb -0.13 -2.29 0.02 0.00 -0.57 0.00 0.00 43.02 40.05 2tio s PHE 82 CO -0.05 -0.25 -0.06 0.42 -0.10 0.00 0.00 175.22 175.19 2tio s ILE 83 N 1.60 0.58 0.37 0.64 1.01 -0.05 -4.98 121.20 120.36 2tio s ILE 83 Ca 0.06 -0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.27 2tio s ILE 83 Cb -0.15 -0.57 -0.09 0.00 0.01 0.00 0.00 42.46 41.66 2tio s ILE 83 CO 0.06 0.22 1.10 -0.44 0.00 0.00 0.00 174.94 175.88 2tio s SER 84 N 0.65 6.80 -0.03 3.58 0.01 -1.26 0.24 113.70 123.68 2tio s SER 84 Ca -0.09 2.20 -0.30 0.00 1.31 0.00 0.00 55.95 59.07 2tio s SER 84 Cb -0.12 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 2tio s SER 84 CO 0.00 -0.47 1.34 0.00 0.41 0.00 0.00 173.24 174.53 2tio s ALA 85 N -1.45 3.56 -0.04 1.44 0.00 -0.36 -0.94 121.76 123.97 2tio s ALA 85 Ca 0.54 0.77 0.13 0.00 0.00 0.00 0.00 51.96 53.40 2tio s ALA 85 Cb -0.27 -3.58 -0.14 0.00 0.00 0.00 0.00 23.12 19.13 2tio s ALA 85 CO 0.35 -0.91 1.03 1.03 0.00 0.00 0.00 175.76 177.26 2tio h SER 86 N 7.81 0.00 -3.38 0.00 0.87 -0.07 -3.44 113.55 115.34 2tio h SER 86 Ca -0.36 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.24 2tio h SER 86 Cb 1.17 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.88 2tio h SER 86 CO 0.90 0.79 0.37 -0.75 -0.53 0.00 0.00 176.83 177.61 2tio s LYS 87 N -2.79 0.59 -0.16 2.24 2.20 -1.09 -4.97 119.74 115.76 2tio s LYS 87 Ca -0.01 0.71 0.01 0.00 -0.36 0.00 0.00 55.97 56.32 2tio s LYS 87 Cb 0.09 0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.71 2tio s LYS 87 CO 0.80 -0.07 -0.18 -1.12 -0.36 0.00 0.00 175.35 174.42 2tio s SER 88 N 0.31 2.96 -0.42 1.43 0.01 -1.26 -0.15 113.70 116.57 2tio s SER 88 Ca 0.02 -0.58 -0.05 0.00 1.31 0.00 0.00 55.95 56.64 2tio s SER 88 Cb -0.05 -1.36 0.11 0.00 0.21 0.00 0.00 66.02 64.92 2tio s SER 88 CO -0.05 -0.01 0.24 -0.63 0.41 0.00 0.00 173.24 173.21 2tio s ILE 89 N 1.28 3.65 0.27 1.44 1.01 0.12 -4.96 121.20 124.01 2tio s ILE 89 Ca 0.03 -1.88 -0.29 0.00 0.00 0.00 0.00 60.65 58.51 2tio s ILE 89 Cb -0.13 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.82 2tio s ILE 89 CO -0.10 -0.67 0.95 -0.69 0.00 0.00 0.00 174.94 174.43 2tio s VAL 90 N 1.24 4.07 0.13 2.92 1.01 -1.26 -0.78 120.40 127.72 2tio s VAL 90 Ca 0.06 1.96 -0.32 0.00 0.00 0.00 0.00 61.98 63.68 2tio s VAL 90 Cb -0.24 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 2tio s VAL 90 CO -0.02 0.37 1.79 1.57 0.00 0.00 0.00 175.10 178.81 2tio n HIS 91 N 1.16 2.59 -0.13 5.22 -0.00 -0.81 -4.85 115.22 118.40 2tio n HIS 91 Ca -0.01 -0.06 0.28 0.00 0.46 0.00 0.00 57.72 58.39 2tio n HIS 91 Cb 0.48 -2.70 0.71 0.00 -0.12 0.00 0.00 29.99 28.37 2tio n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2tio h PRO 92 N 8.00 0.00 -0.69 1.57 0.11 -1.93 -0.48 132.00 138.58 2tio h PRO 92 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2tio h PRO 92 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2tio h PRO 92 CO 0.94 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.16 2tio n SER 93 N -3.99 4.36 -4.74 -2.05 7.64 -1.26 -4.98 113.62 108.61 2tio n SER 93 Ca 0.17 -2.25 -0.42 0.00 1.01 0.00 0.00 58.87 57.39 2tio n SER 93 Cb 0.97 -0.54 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 2tio n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2tio s TYR 94 N -1.49 2.88 -0.25 1.43 5.04 -0.19 -4.71 117.35 120.06 2tio s TYR 94 Ca 0.50 0.69 0.02 0.00 -2.44 0.00 0.00 57.07 55.84 2tio s TYR 94 Cb 0.29 -4.03 0.05 0.00 0.35 0.00 0.00 41.96 38.63 2tio s TYR 94 CO 0.28 -3.60 -0.12 1.21 -1.34 0.00 0.00 175.55 171.98 2tio s ASN 95 N 0.73 4.25 0.60 4.32 3.84 -0.89 -5.01 114.94 122.79 2tio s ASN 95 Ca 0.66 -1.27 0.37 0.00 0.21 0.00 0.00 52.86 52.83 2tio s ASN 95 Cb -0.47 -1.55 1.93 0.00 -0.55 0.00 0.00 41.25 40.62 2tio s ASN 95 CO 0.41 -0.16 2.22 0.77 -2.79 0.00 0.00 177.10 177.55 2tio h SER 96 N 7.81 0.00 0.31 -4.21 4.64 -1.94 0.53 113.55 120.69 2tio h SER 96 Ca -0.24 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.75 2tio h SER 96 Cb 1.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2tio h SER 96 CO 0.49 0.03 -1.60 0.78 -0.87 0.00 0.00 176.83 175.66 2tio h ASN 97 N 0.00 0.59 0.00 4.97 2.35 -1.98 -3.37 115.58 118.14 2tio h ASN 97 Ca -0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 2tio h ASN 97 Cb 0.17 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2tio h ASN 97 CO 0.00 1.64 -1.72 0.35 -1.65 0.00 0.00 177.43 176.06 2tio n THR 98 N -3.57 0.00 -1.15 2.81 -2.24 -1.12 -4.98 114.28 104.02 2tio n THR 98 Ca -0.20 -0.37 -0.05 0.00 -2.27 0.00 0.00 64.05 61.16 2tio n THR 98 Cb 1.07 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 2tio n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2tio n LEU 99 N -2.05 -0.11 -4.75 3.22 7.99 0.18 -4.98 117.00 116.50 2tio n LEU 99 Ca -0.02 0.13 -0.41 0.00 -0.01 0.00 0.00 56.01 55.70 2tio n LEU 99 Cb 0.50 -1.64 -0.03 0.00 -0.11 0.00 0.00 43.42 42.14 2tio n LEU 99 CO 0.44 -0.55 0.94 0.21 -1.51 0.00 0.00 177.39 176.92 2tio s ASN 100 N -2.42 6.94 -0.90 -1.43 3.04 -1.23 -2.75 114.94 116.19 2tio s ASN 100 Ca 0.00 2.45 -0.06 0.00 0.04 0.00 0.00 52.86 55.29 2tio s ASN 100 Cb 0.00 -2.62 0.01 0.00 -1.54 0.00 0.00 41.25 37.09 2tio s ASN 100 CO 0.00 -0.45 0.75 0.59 -3.04 0.00 0.00 177.10 174.94 2tio n ASN 101 N 1.85 -4.85 -4.26 -4.21 4.13 -1.26 -2.09 115.26 104.57 2tio n ASN 101 Ca 0.03 -0.34 -0.43 0.00 1.68 0.00 0.00 54.58 55.53 2tio n ASN 101 Cb 0.43 -3.45 -0.00 0.00 -1.54 0.00 0.00 39.78 35.22 2tio n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2tio n ASP 102 N -1.41 4.52 -3.82 6.41 2.03 -1.11 -4.32 116.55 118.86 2tio n ASP 102 Ca 0.00 -2.89 -0.12 0.00 0.52 0.00 0.00 54.79 52.30 2tio n ASP 102 Cb 0.54 -1.71 -0.11 0.00 -0.72 0.00 0.00 41.12 39.12 2tio n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2tio s ILE 103 N 3.89 0.03 -0.07 5.18 2.07 -1.26 -3.86 121.20 127.18 2tio s ILE 103 Ca 0.51 -0.23 -0.09 0.00 -1.41 0.00 0.00 60.65 59.44 2tio s ILE 103 Cb 0.08 -0.36 0.02 0.00 0.13 0.00 0.00 42.46 42.32 2tio s ILE 103 CO 0.02 -0.12 0.22 -0.32 -1.91 0.00 0.00 174.94 172.83 2tio s MET 104 N -0.42 0.34 -0.10 3.50 -2.45 -0.32 -1.92 119.30 117.94 2tio s MET 104 Ca -0.05 0.16 -0.01 0.00 -1.25 0.00 0.00 55.69 54.54 2tio s MET 104 Cb -0.03 0.16 -0.03 0.00 1.25 0.00 0.00 34.83 36.17 2tio s MET 104 CO 0.01 -0.06 -0.04 -0.51 1.05 0.00 0.00 175.02 175.48 2tio s LEU 105 N -0.24 3.34 -0.14 4.11 1.43 0.04 -0.92 118.68 126.30 2tio s LEU 105 Ca -0.03 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2tio s LEU 105 Cb -0.03 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.45 2tio s LEU 105 CO 0.01 0.32 -0.20 -0.63 0.23 0.00 0.00 176.35 176.09 2tio s ILE 106 N -0.56 1.90 -0.09 -0.59 1.01 0.28 0.15 121.20 123.30 2tio s ILE 106 Ca 0.09 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 2tio s ILE 106 Cb -0.12 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 2tio s ILE 106 CO 0.02 0.52 0.41 -0.75 0.00 0.00 0.00 174.94 175.14 2tio s LYS 107 N 0.98 4.20 0.22 2.79 2.20 0.79 -0.89 119.74 130.03 2tio s LYS 107 Ca -0.04 0.36 -0.22 0.00 -0.36 0.00 0.00 55.97 55.70 2tio s LYS 107 Cb -0.15 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.71 2tio s LYS 107 CO -0.04 0.33 0.78 -0.51 -0.36 0.00 0.00 175.35 175.54 2tio s LEU 108 N 0.11 4.41 0.24 5.43 1.43 0.00 0.62 118.68 130.93 2tio s LEU 108 Ca 0.23 1.55 -0.06 0.00 -1.03 0.00 0.00 54.13 54.83 2tio s LEU 108 Cb -0.15 -3.57 0.32 0.00 0.03 0.00 0.00 46.19 42.81 2tio s LEU 108 CO 0.10 0.07 1.85 0.50 0.23 0.00 0.00 176.35 179.09 2tio h LYS 109 N 3.63 0.93 -4.87 1.70 3.64 -1.34 -3.42 116.57 116.84 2tio h LYS 109 Ca -0.47 -0.06 -0.31 0.00 -1.27 0.00 0.00 60.65 58.54 2tio h LYS 109 Cb 1.20 -0.21 -0.19 0.00 -0.41 0.00 0.00 32.23 32.61 2tio h LYS 109 CO 0.65 0.62 -0.74 -1.54 -2.27 0.00 0.00 179.45 176.17 2tio s SER 110 N -5.77 1.27 0.37 4.20 1.04 -1.26 -4.99 113.70 108.57 2tio s SER 110 Ca -0.13 -0.72 -0.27 0.00 0.48 0.00 0.00 55.95 55.32 2tio s SER 110 Cb 0.18 0.02 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 2tio s SER 110 CO 0.79 -0.23 1.31 0.00 0.98 0.00 0.00 173.24 176.08 2tio s ALA 111 N -2.02 3.37 0.61 5.32 0.00 -1.26 -4.88 121.76 122.90 2tio s ALA 111 Ca -0.00 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 2tio s ALA 111 Cb -0.06 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2tio s ALA 111 CO 0.00 -0.74 1.04 0.00 0.00 0.00 0.00 175.76 176.06 2tio s ALA 112 N -1.21 2.83 -0.41 0.00 0.00 0.91 -5.01 121.76 118.87 2tio s ALA 112 Ca 0.53 0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.53 2tio s ALA 112 Cb -0.39 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.57 2tio s ALA 112 CO 0.51 -0.79 0.48 -1.12 0.00 0.00 0.00 175.76 174.84 2tio s SER 113 N -3.24 6.23 0.12 0.00 0.01 -1.26 -4.87 113.70 110.68 2tio s SER 113 Ca 0.60 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 57.07 2tio s SER 113 Cb -0.14 -2.25 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 2tio s SER 113 CO 0.42 -0.60 0.90 -0.76 0.41 0.00 0.00 173.24 173.62 2tio s LEU 114 N 2.30 4.51 0.00 2.44 1.43 -1.26 -4.75 118.68 123.35 2tio s LEU 114 Ca 0.15 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2tio s LEU 114 Cb -0.16 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2tio s LEU 114 CO 0.15 0.00 0.00 -0.46 0.23 0.00 0.00 176.35 176.27 2tio n ASN 115 N 2.54 0.00 -0.09 2.29 0.23 0.18 -4.98 115.26 115.44 2tio n ASN 115 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.92 2tio n ASN 115 Cb 0.49 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.17 2tio n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2tio h SER 116 N 0.00 0.96 1.24 0.53 0.02 -2.00 -3.26 113.55 111.04 2tio h SER 116 Ca 0.00 -0.48 -0.16 0.00 -0.84 0.00 0.00 61.79 60.31 2tio h SER 116 Cb 0.00 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 2tio h SER 116 CO 0.00 1.27 -0.74 0.03 -1.14 0.00 0.00 176.83 176.25 2tio h ARG 117 N 0.69 0.00 -4.39 3.45 2.47 -1.95 -3.44 114.38 111.21 2tio h ARG 117 Ca 0.03 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.16 2tio h ARG 117 Cb 1.08 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 29.02 2tio h ARG 117 CO 0.11 0.74 -0.80 0.08 0.56 0.00 0.00 179.97 180.66 2tio s VAL 118 N -2.85 1.42 0.05 2.04 1.01 -1.23 -4.38 120.40 116.46 2tio s VAL 118 Ca 0.02 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 2tio s VAL 118 Cb 0.09 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.92 2tio s VAL 118 CO 0.78 0.14 0.17 0.00 0.00 0.00 0.00 175.10 176.19 2tio s ALA 119 N 1.49 -0.24 0.45 5.51 0.00 -0.90 -0.64 121.76 127.43 2tio s ALA 119 Ca -0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 2tio s ALA 119 Cb -0.16 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2tio s ALA 119 CO -0.08 -0.40 0.75 -1.54 0.00 0.00 0.00 175.76 174.50 2tio s SER 120 N -2.35 6.33 0.09 0.00 1.04 -1.26 -2.77 113.70 114.78 2tio s SER 120 Ca -0.02 0.93 0.06 0.00 0.48 0.00 0.00 55.95 57.40 2tio s SER 120 Cb 0.01 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 2tio s SER 120 CO -0.06 -0.50 -0.04 -0.51 0.98 0.00 0.00 173.24 173.11 2tio s ILE 121 N -2.60 3.78 0.33 -1.02 1.10 -0.10 -4.88 121.20 117.81 2tio s ILE 121 Ca 0.47 -1.08 -0.19 0.00 -0.51 0.00 0.00 60.65 59.34 2tio s ILE 121 Cb -0.10 -2.79 -0.09 0.00 0.15 0.00 0.00 42.46 39.63 2tio s ILE 121 CO 0.41 0.13 0.82 -0.44 -2.11 0.00 0.00 174.94 173.75 2tio s SER 122 N -2.24 6.97 0.27 4.50 0.01 -1.26 -4.56 113.70 117.39 2tio s SER 122 Ca 0.24 1.51 -0.24 0.00 1.31 0.00 0.00 55.95 58.77 2tio s SER 122 Cb -0.11 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 2tio s SER 122 CO 0.16 -0.17 0.86 -0.76 0.41 0.00 0.00 173.24 173.74 2tio s LEU 123 N -2.66 4.38 0.66 2.44 1.43 -1.26 -0.98 118.68 122.69 2tio s LEU 123 Ca 0.53 1.70 -0.16 0.00 -1.03 0.00 0.00 54.13 55.16 2tio s LEU 123 Cb -0.13 -3.80 -0.00 0.00 0.03 0.00 0.00 46.19 42.30 2tio s LEU 123 CO 0.18 0.00 1.17 -2.16 0.23 0.00 0.00 176.35 175.77 2tio s PRO 124 N -1.90 2.66 -0.15 1.29 0.04 -1.26 -4.82 135.00 130.86 2tio s PRO 124 Ca 0.46 1.65 0.18 0.00 0.04 0.00 0.00 61.00 63.34 2tio s PRO 124 Cb -0.19 -1.91 -0.26 0.00 0.04 0.00 0.00 34.50 32.19 2tio s PRO 124 CO 0.24 -1.41 0.22 0.25 0.04 0.00 0.00 177.00 176.34 2tio n THR 125 N -2.21 1.18 -3.98 1.26 -2.24 -1.26 -4.96 114.28 102.07 2tio n THR 125 Ca 0.12 -0.79 -0.08 0.00 -2.27 0.00 0.00 64.05 61.04 2tio n THR 125 Cb 0.51 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.20 2tio n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2tio s SER 127 N -5.40 0.31 0.65 3.42 1.04 -1.26 -5.14 113.70 107.32 2tio s SER 127 Ca -0.09 -0.81 -0.13 0.00 0.48 0.00 0.00 55.95 55.40 2tio s SER 127 Cb 0.08 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2tio s SER 127 CO 0.84 -0.64 1.07 0.00 0.98 0.00 0.00 173.24 175.49 2tio s ALA 129 N -2.69 3.45 0.35 0.00 0.00 -1.26 -5.09 121.76 116.52 2tio s ALA 129 Ca 0.62 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.33 2tio s ALA 129 Cb -0.16 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 2tio s ALA 129 CO 0.45 0.15 0.50 -1.54 0.00 0.00 0.00 175.76 175.32 2tio s SER 130 N -3.01 5.99 0.41 0.00 1.04 -1.26 -5.03 113.70 111.84 2tio s SER 130 Ca 0.49 -0.04 -0.25 0.00 0.48 0.00 0.00 55.95 56.63 2tio s SER 130 Cb -0.10 -1.39 -0.10 0.00 0.10 0.00 0.00 66.02 64.52 2tio s SER 130 CO 0.29 -0.45 1.21 0.00 0.98 0.00 0.00 173.24 175.27 2tio n ALA 132 N -1.72 1.00 0.00 5.32 0.00 -1.26 -2.01 120.51 121.84 2tio n ALA 132 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2tio n ALA 132 Cb 0.58 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2tio n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tio n GLY 133 N 0.90 3.26 3.70 0.00 0.00 0.13 -4.94 105.19 108.25 2tio n GLY 133 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2tio n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2tio n THR 134 N -1.71 0.17 -3.22 2.61 -1.04 -0.85 -4.53 114.28 105.71 2tio n THR 134 Ca 0.00 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.05 61.58 2tio n THR 134 Cb 0.00 -1.82 -0.06 0.00 -1.82 0.00 0.00 70.33 66.63 2tio n THR 134 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2tio s GLN 135 N 0.81 4.34 0.23 -2.82 2.00 -1.26 -0.67 119.66 122.28 2tio s GLN 135 Ca 0.74 0.66 0.05 0.00 -2.00 0.00 0.00 55.36 54.82 2tio s GLN 135 Cb -0.56 -3.40 -0.05 0.00 0.80 0.00 0.00 33.01 29.80 2tio s GLN 135 CO 0.37 0.23 -0.06 0.00 -0.50 0.00 0.00 175.29 175.33 2tio s LEU 137 N -3.33 3.30 -0.09 0.00 2.96 0.52 -0.65 118.68 121.39 2tio s LEU 137 Ca 0.26 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2tio s LEU 137 Cb 0.03 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 2tio s LEU 137 CO 0.08 0.06 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.43 2tio s ILE 138 N 1.00 3.21 0.03 6.68 1.01 0.54 -1.53 121.20 132.15 2tio s ILE 138 Ca 0.02 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 2tio s ILE 138 Cb -0.14 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 2tio s ILE 138 CO 0.02 0.56 0.08 -0.94 0.00 0.00 0.00 174.94 174.66 2tio s SER 139 N -0.32 0.20 0.00 3.58 1.04 -1.25 -0.24 113.70 116.71 2tio s SER 139 Ca 0.03 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2tio s SER 139 Cb -0.13 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2tio s SER 139 CO 0.02 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2tio n GLY 140 N 0.87 0.06 1.38 7.32 0.00 -0.72 -4.46 105.19 109.64 2tio n GLY 140 Ca -0.19 -1.03 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 2tio n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2tio n TRP 141 N -0.39 1.56 -1.78 1.61 8.01 -1.26 -2.05 117.44 123.13 2tio n TRP 141 Ca 0.00 -1.40 -0.30 0.00 -1.31 0.00 0.00 57.50 54.49 2tio n TRP 141 Cb 0.00 -0.55 0.17 0.00 -2.01 0.00 0.00 31.31 28.92 2tio n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2tio s GLY 142 N -1.98 1.70 0.27 6.99 0.00 -1.25 -4.43 107.32 108.62 2tio s GLY 142 Ca 0.47 -0.99 -0.28 0.00 0.00 0.00 0.00 44.72 43.92 2tio s GLY 142 CO 0.06 -0.28 0.97 -2.01 0.00 0.00 0.00 173.10 171.84 2tio n ASN 143 N -3.80 1.06 -0.79 1.64 5.15 0.90 -2.45 115.26 116.98 2tio n ASN 143 Ca 0.13 1.17 0.08 0.00 -0.60 0.00 0.00 54.58 55.35 2tio n ASN 143 Cb 0.60 -1.25 0.16 0.00 -0.53 0.00 0.00 39.78 38.76 2tio n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2tio n THR 144 N 0.29 0.69 -4.55 -0.44 -2.24 -0.08 -0.85 114.28 107.09 2tio n THR 144 Ca 0.11 -0.84 -0.33 0.00 -2.27 0.00 0.00 64.05 60.72 2tio n THR 144 Cb 0.31 0.76 -0.16 0.00 -2.10 0.00 0.00 70.33 69.13 2tio n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2tio s LYS 145 N -1.08 3.02 -0.01 -0.78 3.01 -1.26 -4.46 119.74 118.18 2tio s LYS 145 Ca 0.27 -0.84 -0.25 0.00 -1.01 0.00 0.00 55.97 54.13 2tio s LYS 145 Cb 0.15 -2.47 -0.20 0.00 -1.01 0.00 0.00 37.83 34.31 2tio s LYS 145 CO 0.21 -0.05 1.33 0.66 0.51 0.00 0.00 175.35 178.01 2tio h SER 146 N 7.45 -0.00 -4.08 2.83 4.64 -1.92 -3.37 113.55 119.10 2tio h SER 146 Ca -0.35 -0.41 -0.69 0.00 -0.47 0.00 0.00 61.79 59.86 2tio h SER 146 Cb 1.18 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.91 2tio h SER 146 CO 0.57 0.41 -0.35 -0.44 -0.87 0.00 0.00 176.83 176.16 2tio s SER 147 N -5.61 5.25 0.00 4.97 0.01 -1.26 -4.50 113.70 112.56 2tio s SER 147 Ca -0.15 -3.00 0.00 0.00 1.31 0.00 0.00 55.95 54.10 2tio s SER 147 Cb 0.02 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.41 2tio s SER 147 CO 0.67 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2tio n GLY 148 N 3.27 0.91 2.97 3.44 0.00 -1.26 -5.11 105.19 109.42 2tio n GLY 148 Ca 0.10 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 2tio n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2tio s THR 149 N -2.27 -0.03 -0.30 2.61 2.01 -1.26 -4.65 115.64 111.75 2tio s THR 149 Ca 0.00 0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 2tio s THR 149 Cb 0.00 -0.24 0.17 0.00 0.01 0.00 0.00 72.50 72.44 2tio s THR 149 CO 0.00 0.05 0.70 -0.55 -0.69 0.00 0.00 174.62 174.13 2tio s SER 150 N 0.81 -1.15 -0.19 3.53 0.15 -1.26 -4.94 113.70 110.64 2tio s SER 150 Ca -0.06 0.95 -0.09 0.00 0.70 0.00 0.00 55.95 57.46 2tio s SER 150 Cb -0.08 2.06 -0.05 0.00 -1.71 0.00 0.00 66.02 66.25 2tio s SER 150 CO -0.04 -0.22 0.10 -0.31 1.20 0.00 0.00 173.24 173.97 2tio s TYR 151 N 2.85 3.34 0.56 3.44 2.02 -1.26 -0.90 117.35 127.40 2tio s TYR 151 Ca 0.10 0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.93 2tio s TYR 151 Cb -0.13 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 2tio s TYR 151 CO -0.19 0.23 0.93 -1.25 -1.57 0.00 0.00 175.55 173.70 2tio s PRO 152 N 0.37 3.60 -0.07 -1.71 0.04 -1.26 -5.00 135.00 130.96 2tio s PRO 152 Ca 0.06 0.55 -0.09 0.00 0.04 0.00 0.00 61.00 61.56 2tio s PRO 152 Cb -0.12 -2.20 -0.29 0.00 0.04 0.00 0.00 34.50 31.94 2tio s PRO 152 CO -0.01 -0.41 0.59 -0.44 0.04 0.00 0.00 177.00 176.77 2tio h ASP 153 N -0.04 0.54 -2.13 6.66 3.45 -1.94 -3.47 116.42 119.49 2tio h ASP 153 Ca -0.45 -0.90 -0.47 0.00 0.43 0.00 0.00 57.03 55.63 2tio h ASP 153 Cb 1.20 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.77 2tio h ASP 153 CO 0.62 1.78 -0.45 0.68 -1.57 0.00 0.00 179.24 180.30 2tio s VAL 154 N -2.58 4.82 0.12 -1.35 -7.23 -1.26 -0.91 120.40 112.01 2tio s VAL 154 Ca -0.17 -1.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.55 2tio s VAL 154 Cb 0.06 -3.65 -0.09 0.00 0.56 0.00 0.00 36.38 33.27 2tio s VAL 154 CO 0.83 -0.31 1.50 -0.22 -0.31 0.00 0.00 175.10 176.59 2tio s LEU 155 N -3.96 4.37 0.10 1.32 2.96 -1.20 -4.84 118.68 117.42 2tio s LEU 155 Ca 0.35 2.45 0.03 0.00 -0.22 0.00 0.00 54.13 56.74 2tio s LEU 155 Cb -0.09 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2tio s LEU 155 CO 0.28 -0.76 0.13 -0.54 -1.32 0.00 0.00 176.35 174.14 2tio s LYS 156 N 1.43 3.03 0.17 1.98 -0.14 -0.87 -1.79 119.74 123.55 2tio s LYS 156 Ca 0.68 -0.68 0.07 0.00 -1.36 0.00 0.00 55.97 54.68 2tio s LYS 156 Cb -0.40 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 32.92 2tio s LYS 156 CO 0.31 0.55 -0.14 0.00 -0.76 0.00 0.00 175.35 175.31 2tio s LEU 158 N -3.02 -0.40 -0.19 0.00 2.96 0.66 -0.69 118.68 118.01 2tio s LEU 158 Ca 0.18 1.17 -0.17 0.00 -0.22 0.00 0.00 54.13 55.09 2tio s LEU 158 Cb -0.02 1.85 -0.04 0.00 0.50 0.00 0.00 46.19 48.49 2tio s LEU 158 CO 0.05 -0.21 0.43 -0.54 -1.32 0.00 0.00 176.35 174.75 2tio s LYS 159 N 1.20 4.21 -0.06 1.98 -0.14 -1.26 -0.34 119.74 125.33 2tio s LYS 159 Ca -0.07 0.27 -0.05 0.00 -1.36 0.00 0.00 55.97 54.76 2tio s LYS 159 Cb -0.06 -3.52 0.02 0.00 -1.68 0.00 0.00 37.83 32.59 2tio s LYS 159 CO -0.12 -0.01 0.15 0.00 -0.76 0.00 0.00 175.35 174.61 2tio s ALA 160 N 1.21 -0.35 0.31 5.17 0.00 0.18 -4.94 121.76 123.33 2tio s ALA 160 Ca 0.21 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 2tio s ALA 160 Cb -0.15 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 22.62 2tio s ALA 160 CO 0.08 -0.08 0.70 -1.25 0.00 0.00 0.00 175.76 175.21 2tio s PRO 161 N 0.23 3.94 0.11 0.00 0.04 -1.26 -0.35 135.00 137.72 2tio s PRO 161 Ca -0.01 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.29 2tio s PRO 161 Cb -0.02 -2.47 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 2tio s PRO 161 CO -0.01 0.18 1.09 0.42 0.04 0.00 0.00 177.00 178.72 2tio s ILE 162 N -1.98 4.12 0.45 0.56 1.01 0.15 -2.07 121.20 123.44 2tio s ILE 162 Ca 0.52 1.68 -0.02 0.00 0.00 0.00 0.00 60.65 62.83 2tio s ILE 162 Cb -0.10 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2tio s ILE 162 CO 0.19 0.22 0.71 -0.76 0.00 0.00 0.00 174.94 175.30 2tio s LEU 163 N 0.24 3.69 0.51 2.97 1.43 0.16 0.22 118.68 127.91 2tio s LEU 163 Ca 0.52 0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 54.04 2tio s LEU 163 Cb -0.28 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.35 2tio s LEU 163 CO 0.32 -0.59 1.11 -0.94 0.23 0.00 0.00 176.35 176.48 2tio s SER 164 N -4.14 5.97 0.52 2.29 1.04 -1.26 -4.60 113.70 113.52 2tio s SER 164 Ca 0.46 2.12 0.19 0.00 0.48 0.00 0.00 55.95 59.21 2tio s SER 164 Cb -0.10 -2.58 1.34 0.00 0.10 0.00 0.00 66.02 64.78 2tio s SER 164 CO 0.41 -1.04 2.13 0.44 0.98 0.00 0.00 173.24 176.15 2tio h ASP 165 N 1.43 0.00 -0.26 7.02 3.45 -1.97 -1.43 116.42 124.67 2tio h ASP 165 Ca -0.50 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 56.93 2tio h ASP 165 Cb 1.25 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.01 2tio h ASP 165 CO 0.58 0.06 0.03 0.77 -1.57 0.00 0.00 179.24 179.11 2tio h SER 166 N 0.00 0.41 -0.15 6.45 4.64 -1.99 -0.79 113.55 122.12 2tio h SER 166 Ca -0.00 -0.27 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 2tio h SER 166 Cb 0.11 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2tio h SER 166 CO 0.01 0.58 -0.27 0.28 -0.87 0.00 0.00 176.83 176.56 2tio h SER 167 N 0.24 0.64 0.64 4.97 0.02 -1.82 -1.64 113.55 116.59 2tio h SER 167 Ca 0.08 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 2tio h SER 167 Cb 0.34 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.72 2tio h SER 167 CO 0.01 0.88 -0.31 0.00 -1.14 0.00 0.00 176.83 176.27 2tio h LYS 169 N -0.94 0.00 -0.01 0.00 1.57 -1.10 -0.68 116.57 115.40 2tio h LYS 169 Ca -0.09 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.49 2tio h LYS 169 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2tio h LYS 169 CO 0.14 0.04 -0.86 0.77 -0.57 0.00 0.00 179.45 178.98 2tio h SER 170 N 0.00 0.36 0.05 0.86 0.02 -1.02 -2.29 113.55 111.54 2tio h SER 170 Ca -0.00 -0.28 -0.22 0.00 -0.84 0.00 0.00 61.79 60.45 2tio h SER 170 Cb 0.20 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.64 2tio h SER 170 CO 0.01 1.06 -0.85 0.00 -1.14 0.00 0.00 176.83 175.91 2tio h ALA 171 N 0.92 0.35 -2.14 3.77 0.00 -0.19 -3.37 119.26 118.60 2tio h ALA 171 Ca -0.05 -0.64 -0.59 0.00 0.00 0.00 0.00 54.91 53.64 2tio h ALA 171 Cb 1.47 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.84 2tio h ALA 171 CO 0.14 0.72 -0.75 0.66 0.00 0.00 0.00 179.25 180.02 2tio n TYR 172 N -3.87 2.49 -1.70 0.00 4.01 -0.70 -4.97 117.16 112.42 2tio n TYR 172 Ca -0.07 -3.98 -0.54 0.00 -0.16 0.00 0.00 57.90 53.15 2tio n TYR 172 Cb 0.78 -0.50 -0.06 0.00 -0.31 0.00 0.00 39.34 39.25 2tio n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2tio n PRO 173 N 0.94 1.56 -1.08 -0.72 -0.02 -0.86 -1.35 135.00 133.47 2tio n PRO 173 Ca 0.27 0.57 -0.03 0.00 -2.02 0.00 0.00 63.50 62.30 2tio n PRO 173 Cb 0.45 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 2tio n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2tio n GLY 174 N 4.27 0.54 0.00 -1.23 0.00 -1.26 -4.86 105.19 102.65 2tio n GLY 174 Ca 0.25 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 46.07 2tio n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2tio n GLN 175 N -1.85 3.58 -3.29 1.61 6.02 -0.46 -4.99 117.38 118.00 2tio n GLN 175 Ca -0.03 -0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.56 2tio n GLN 175 Cb 0.23 -0.84 -0.07 0.00 1.02 0.00 0.00 30.24 30.57 2tio n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2tio s ILE 176 N -1.72 5.13 0.49 5.09 -1.09 -1.24 -5.03 121.20 122.82 2tio s ILE 176 Ca 0.00 0.84 0.08 0.00 -2.23 0.00 0.00 60.65 59.34 2tio s ILE 176 Cb 0.03 -3.80 0.03 0.00 -1.58 0.00 0.00 42.46 37.14 2tio s ILE 176 CO 0.17 0.17 0.57 0.42 -1.23 0.00 0.00 174.94 175.04 2tio s THR 177 N 1.76 2.46 -0.88 2.92 -4.23 -1.26 -4.98 115.64 111.43 2tio s THR 177 Ca 0.21 -1.15 0.10 0.00 -1.18 0.00 0.00 61.69 59.67 2tio s THR 177 Cb -0.15 -2.61 0.09 0.00 1.34 0.00 0.00 72.50 71.17 2tio s THR 177 CO 0.09 0.00 1.31 -1.54 -0.54 0.00 0.00 174.62 173.94 2tio n SER 178 N -1.89 0.11 -1.72 3.99 3.41 -1.26 -1.95 113.62 114.30 2tio n SER 178 Ca 0.08 0.54 0.04 0.00 -0.26 0.00 0.00 58.87 59.27 2tio n SER 178 Cb 0.61 -0.56 0.35 0.00 -0.26 0.00 0.00 64.21 64.36 2tio n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2tio n ASN 179 N -1.63 5.15 -4.08 4.04 3.02 -1.26 -4.93 115.26 115.57 2tio n ASN 179 Ca 0.01 -3.04 -0.10 0.00 -0.03 0.00 0.00 54.58 51.43 2tio n ASN 179 Cb 0.09 -0.67 -0.11 0.00 -0.61 0.00 0.00 39.78 38.48 2tio n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2tio s MET 180 N -2.85 0.59 0.03 3.52 -1.94 -0.82 -1.13 119.30 116.70 2tio s MET 180 Ca 0.52 -1.02 -0.10 0.00 -1.71 0.00 0.00 55.69 53.39 2tio s MET 180 Cb 0.41 -0.05 0.01 0.00 2.01 0.00 0.00 34.83 37.21 2tio s MET 180 CO 0.14 -0.03 0.20 -0.59 -0.01 0.00 0.00 175.02 174.73 2tio s PHE 181 N -2.72 0.03 -0.02 -0.03 -0.12 -0.59 -4.78 117.98 109.75 2tio s PHE 181 Ca -0.00 -0.21 -0.05 0.00 -0.05 0.00 0.00 56.93 56.62 2tio s PHE 181 Cb -0.01 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 2tio s PHE 181 CO -0.04 -0.42 0.21 0.00 -0.05 0.00 0.00 175.22 174.92 2tio s ALA 183 N -1.28 -0.50 0.00 0.00 0.00 -0.80 -0.67 121.76 118.52 2tio s ALA 183 Ca 0.26 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2tio s ALA 183 Cb -0.13 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2tio s ALA 183 CO 0.16 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2tio n GLY 184 N 2.85 0.74 2.95 0.00 0.00 -0.88 -2.41 105.19 108.43 2tio n GLY 184 Ca -0.13 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 2tio n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2tio s TYR 184 N -3.24 1.53 -0.23 1.61 1.51 -1.26 -4.48 117.35 112.80 2tio s TYR 184 Ca 0.00 -0.72 0.28 0.00 -1.01 0.00 0.00 57.07 55.62 2tio s TYR 184 Cb 0.00 -1.21 1.18 0.00 -0.11 0.00 0.00 41.96 41.82 2tio s TYR 184 CO 0.00 -0.45 1.82 -0.07 -1.11 0.00 0.00 175.55 175.74 2tio h LEU 185 N 7.79 0.00 0.00 -1.29 3.38 -1.94 -1.57 115.31 121.67 2tio h LEU 185 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2tio h LEU 185 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2tio h LEU 185 CO 0.44 0.00 -0.22 -1.84 0.09 0.00 0.00 178.44 176.91 2tio n GLU 186 N -2.54 0.02 0.00 1.13 0.00 -1.26 -0.09 120.64 117.90 2tio n GLU 186 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.18 2tio n GLU 186 Cb 0.23 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.15 2tio n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2tio n GLY 187 N 1.49 -2.38 0.85 -1.84 0.00 -0.59 -4.51 105.19 98.21 2tio n GLY 187 Ca 0.06 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2tio n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tio n GLY 188 N -0.86 3.12 2.74 -0.02 0.00 -0.61 -4.94 105.19 104.63 2tio n GLY 188 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2tio n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tio s LYS 188 N -0.36 0.26 0.02 1.61 1.02 -1.26 -3.65 119.74 117.39 2tio s LYS 188 Ca 0.00 0.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.90 2tio s LYS 188 Cb 0.00 -0.66 0.10 0.00 -0.52 0.00 0.00 37.83 36.75 2tio s LYS 188 CO 0.00 -0.27 1.14 0.34 -0.92 0.00 0.00 175.35 175.64 2tio s ASP 189 N 1.79 -0.13 0.80 2.83 2.15 -0.81 -4.14 116.67 119.17 2tio s ASP 189 Ca 0.01 -0.20 -0.09 0.00 0.43 0.00 0.00 52.55 52.70 2tio s ASP 189 Cb -0.12 0.28 0.11 0.00 -0.30 0.00 0.00 42.92 42.89 2tio s ASP 189 CO -0.03 -0.51 1.13 -0.94 -0.17 0.00 0.00 175.17 174.64 2tio s SER 190 N -2.85 4.22 0.27 -0.34 1.04 -1.26 -0.55 113.70 114.23 2tio s SER 190 Ca 0.12 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.79 2tio s SER 190 Cb 0.02 -0.76 0.04 0.00 0.10 0.00 0.00 66.02 65.42 2tio s SER 190 CO -0.02 -2.01 0.57 0.00 0.98 0.00 0.00 173.24 172.75 2tio n GLN 192 N -0.38 1.15 0.00 0.00 3.00 -1.26 -0.61 117.38 119.27 2tio n GLN 192 Ca -0.06 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 2tio n GLN 192 Cb 0.42 -2.06 0.00 0.00 0.00 0.00 0.00 30.24 28.60 2tio n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2tio n GLY 193 N 2.67 3.35 0.10 1.08 0.00 -1.26 -0.07 105.19 111.06 2tio n GLY 193 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2tio n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2tio h ASP 194 N 0.01 0.00 -1.73 1.61 3.32 -1.17 -3.33 116.42 115.13 2tio h ASP 194 Ca 0.00 -0.08 -0.65 0.00 0.02 0.00 0.00 57.03 56.32 2tio h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 2tio h ASP 194 CO 0.00 0.04 -0.09 -1.20 -1.72 0.00 0.00 179.24 176.27 2tio n SER 195 N -2.50 0.29 0.00 6.45 7.64 -1.25 -1.04 113.62 123.20 2tio n SER 195 Ca 0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2tio n SER 195 Cb 0.51 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2tio n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2tio n GLY 196 N 1.68 2.50 3.74 0.23 0.00 0.04 -0.13 105.19 113.26 2tio n GLY 196 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2tio n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2tio s GLY 197 N -1.85 1.61 0.40 -0.02 0.00 -0.20 -3.15 107.32 104.11 2tio s GLY 197 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 44.72 44.31 2tio s GLY 197 CO 0.00 0.31 0.95 2.56 0.00 0.00 0.00 173.10 176.92 2tio s PRO 198 N -5.03 4.32 -0.29 2.90 0.04 -1.26 -1.11 135.00 134.56 2tio s PRO 198 Ca 0.63 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.85 2tio s PRO 198 Cb -0.17 -2.34 0.09 0.00 0.04 0.00 0.00 34.50 32.12 2tio s PRO 198 CO 0.56 0.05 0.04 0.08 0.04 0.00 0.00 177.00 177.77 2tio s VAL 199 N -2.04 1.40 -0.20 -0.36 1.01 -0.57 -3.74 120.40 115.90 2tio s VAL 199 Ca 0.59 -1.56 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 2tio s VAL 199 Cb -0.11 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2tio s VAL 199 CO 0.16 -0.48 0.02 -0.69 0.00 0.00 0.00 175.10 174.11 2tio s VAL 200 N 1.38 4.16 -0.11 2.92 1.01 -0.58 -0.68 120.40 128.51 2tio s VAL 200 Ca 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2tio s VAL 200 Cb -0.18 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2tio s VAL 200 CO -0.15 0.42 -0.12 0.00 0.00 0.00 0.00 175.10 175.26 2tio n SER 202 N 4.42 -2.13 -0.32 0.00 7.64 -1.26 -1.30 113.62 120.67 2tio n SER 202 Ca -0.18 -0.84 -0.04 0.00 1.01 0.00 0.00 58.87 58.82 2tio n SER 202 Cb 0.51 -3.85 -0.02 0.00 -1.01 0.00 0.00 64.21 59.84 2tio n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2tio n GLY 203 N -1.66 0.59 3.22 0.23 0.00 -1.26 -4.99 105.19 101.32 2tio n GLY 203 Ca -0.20 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 2tio n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tio s LYS 204 N -1.83 1.77 -0.64 1.61 3.01 -0.42 -3.98 119.74 119.26 2tio s LYS 204 Ca 0.00 -0.76 -0.27 0.00 -1.01 0.00 0.00 55.97 53.93 2tio s LYS 204 Cb 0.00 -1.68 0.02 0.00 -1.01 0.00 0.00 37.83 35.16 2tio s LYS 204 CO 0.00 0.44 1.36 -1.17 0.51 0.00 0.00 175.35 176.49 2tio s LEU 209 N -0.44 3.30 -0.09 3.17 2.96 -0.15 -0.47 118.68 126.95 2tio s LEU 209 Ca 0.07 -0.04 0.16 0.00 -0.22 0.00 0.00 54.13 54.10 2tio s LEU 209 Cb -0.09 -2.83 -0.23 0.00 0.50 0.00 0.00 46.19 43.55 2tio s LEU 209 CO -0.00 -1.78 0.44 0.00 -1.32 0.00 0.00 176.35 173.69 2tio n GLN 210 N 8.96 0.65 -4.12 1.98 1.13 0.15 -4.04 117.38 122.09 2tio n GLN 210 Ca 0.09 0.14 -0.11 0.00 -1.94 0.00 0.00 57.00 55.17 2tio n GLN 210 Cb 0.49 -1.67 -0.08 0.00 0.11 0.00 0.00 30.24 29.09 2tio n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2tio s GLY 211 N -5.18 1.11 -0.06 1.08 0.00 -0.93 -1.82 107.32 101.51 2tio s GLY 211 Ca -0.07 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.29 2tio s GLY 211 CO 0.83 -1.09 -0.13 -0.42 0.00 0.00 0.00 173.10 172.28 2tio s ILE 212 N -4.07 1.21 -0.00 0.90 1.01 -1.03 -1.51 121.20 117.71 2tio s ILE 212 Ca 0.32 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 2tio s ILE 212 Cb 0.04 -1.09 -0.09 0.00 0.01 0.00 0.00 42.46 41.33 2tio s ILE 212 CO 0.11 0.37 2.00 0.52 0.00 0.00 0.00 174.94 177.94 2tio n VAL 213 N 3.70 0.71 0.00 2.92 0.31 -0.27 -1.25 118.33 124.45 2tio n VAL 213 Ca -0.22 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2tio n VAL 213 Cb 0.52 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 2tio n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2tio n SER 214 N 7.90 0.00 -2.26 4.52 2.88 -1.09 -0.78 113.62 124.79 2tio n SER 214 Ca 0.21 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.66 2tio n SER 214 Cb 0.40 -0.10 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 2tio n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2tio n TRP 215 N -2.39 -1.11 0.00 0.66 4.27 -0.92 -4.90 117.44 113.06 2tio n TRP 215 Ca 0.00 -1.48 0.00 0.00 -3.89 0.00 0.00 57.50 52.13 2tio n TRP 215 Cb 0.00 0.36 0.00 0.00 -1.36 0.00 0.00 31.31 30.31 2tio n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2tio n GLY 216 N -0.37 1.01 3.37 -1.67 0.00 -1.26 -0.49 105.19 105.78 2tio n GLY 216 Ca 0.00 -0.78 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 2tio n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2tio s SER 217 N 0.00 6.22 0.28 1.61 0.15 -1.26 -4.91 113.70 115.80 2tio s SER 217 Ca 0.00 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.12 2tio s SER 217 Cb 0.00 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2tio s SER 217 CO 0.00 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 173.97 2tio n GLY 219 N 5.24 -0.07 3.05 9.45 0.00 -1.26 -4.66 105.19 116.94 2tio n GLY 219 Ca -0.07 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2tio n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tio n ALA 221 N 3.59 -0.67 -1.95 0.00 0.00 -1.26 -4.55 120.51 115.68 2tio n ALA 221 Ca -0.19 0.14 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 2tio n ALA 221 Cb 0.56 -1.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 2tio n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2tio s GLN 221 N -4.87 4.32 0.28 0.00 -1.52 -1.26 -1.57 119.66 115.04 2tio s GLN 221 Ca 0.00 1.03 -0.30 0.00 -1.95 0.00 0.00 55.36 54.15 2tio s GLN 221 Cb 0.00 -2.65 -0.10 0.00 -0.22 0.00 0.00 33.01 30.04 2tio s GLN 221 CO 0.00 0.24 1.43 0.21 -0.25 0.00 0.00 175.29 176.92 2tio s LYS 222 N -2.39 4.26 -1.40 2.91 2.20 -1.26 -2.51 119.74 121.54 2tio s LYS 222 Ca 0.51 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.45 2tio s LYS 222 Cb -0.15 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 2tio s LYS 222 CO 0.20 -0.40 0.00 0.09 -0.36 0.00 0.00 175.35 174.88 2tio n ASN 223 N 1.80 -5.17 -3.37 1.43 3.02 0.87 -4.92 115.26 108.92 2tio n ASN 223 Ca 0.05 0.33 -0.26 0.00 -0.03 0.00 0.00 54.58 54.67 2tio n ASN 223 Cb 0.40 -3.83 -0.09 0.00 -0.61 0.00 0.00 39.78 35.65 2tio n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2tio n LYS 224 N -1.84 0.81 -0.94 3.52 4.76 -1.04 -4.79 118.16 118.63 2tio n LYS 224 Ca -0.13 -3.49 -0.29 0.00 -2.87 0.00 0.00 58.31 51.53 2tio n LYS 224 Cb 0.53 -1.62 0.22 0.00 -1.84 0.00 0.00 35.03 32.32 2tio n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2tio s PRO 225 N -0.85 -0.48 0.32 1.97 0.04 -1.26 -4.35 135.00 130.39 2tio s PRO 225 Ca 0.34 0.46 -0.19 0.00 0.04 0.00 0.00 61.00 61.64 2tio s PRO 225 Cb 0.09 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.90 2tio s PRO 225 CO -0.14 -3.33 0.81 0.20 0.04 0.00 0.00 177.00 174.58 2tio s GLY 226 N -3.26 2.50 -0.08 0.56 0.00 -1.01 -4.57 107.32 101.46 2tio s GLY 226 Ca 0.67 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 45.62 2tio s GLY 226 CO 0.59 0.53 -0.04 0.14 0.00 0.00 0.00 173.10 174.33 2tio s VAL 227 N -1.84 3.94 0.09 1.40 1.01 0.35 -1.90 120.40 123.46 2tio s VAL 227 Ca 0.52 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.17 2tio s VAL 227 Cb -0.13 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2tio s VAL 227 CO 0.18 0.59 -0.14 -0.31 0.00 0.00 0.00 175.10 175.43 2tio s TYR 228 N -0.70 1.27 0.02 5.22 2.02 0.11 -2.15 117.35 123.14 2tio s TYR 228 Ca 0.11 -0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 2tio s TYR 228 Cb -0.11 -0.69 -0.05 0.00 -0.40 0.00 0.00 41.96 40.70 2tio s TYR 228 CO 0.02 0.08 1.30 0.99 -1.57 0.00 0.00 175.55 176.37 2tio s THR 229 N -1.73 3.87 -1.03 -0.71 2.01 -0.38 -1.54 115.64 116.13 2tio s THR 229 Ca 0.03 1.29 -0.23 0.00 0.31 0.00 0.00 61.69 63.09 2tio s THR 229 Cb -0.07 -3.83 0.04 0.00 0.01 0.00 0.00 72.50 68.65 2tio s THR 229 CO 0.02 0.04 1.52 -0.75 -0.69 0.00 0.00 174.62 174.76 2tio s LYS 230 N 1.80 3.52 0.47 4.92 2.20 -0.28 -2.45 119.74 129.92 2tio s LYS 230 Ca 0.61 -1.11 0.19 0.00 -0.36 0.00 0.00 55.97 55.29 2tio s LYS 230 Cb -0.30 -5.35 1.17 0.00 -1.51 0.00 0.00 37.83 31.85 2tio s LYS 230 CO 0.27 -2.33 1.96 0.28 -0.36 0.00 0.00 175.35 175.17 2tio h VAL 231 N 6.74 0.80 -0.03 4.02 2.07 -1.67 -2.29 116.25 125.89 2tio h VAL 231 Ca 0.21 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.65 2tio h VAL 231 Cb 1.00 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2tio h VAL 231 CO 1.41 0.05 0.04 0.00 0.02 0.00 0.00 177.57 179.09 2tio n ASN 233 N -3.63 0.71 -0.41 0.00 3.02 -0.86 -3.70 115.26 110.40 2tio n ASN 233 Ca -0.02 0.59 0.04 0.00 -0.03 0.00 0.00 54.58 55.16 2tio n ASN 233 Cb 0.12 -0.77 0.08 0.00 -0.61 0.00 0.00 39.78 38.59 2tio n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2tio n TYR 234 N -2.20 0.20 -0.28 3.10 4.01 0.01 -4.72 117.16 117.28 2tio n TYR 234 Ca 0.05 -0.29 0.03 0.00 -0.16 0.00 0.00 57.90 57.53 2tio n TYR 234 Cb 0.37 -0.02 0.17 0.00 -0.31 0.00 0.00 39.34 39.55 2tio n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2tio h VAL 235 N 1.52 0.86 -0.27 -0.72 2.07 -1.61 0.17 116.25 118.27 2tio h VAL 235 Ca 0.00 -0.25 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 2tio h VAL 235 Cb 0.53 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2tio h VAL 235 CO 0.00 0.13 -0.43 0.77 0.02 0.00 0.00 177.57 178.06 2tio h SER 236 N 0.72 0.72 -0.14 0.57 4.64 -1.87 -1.67 113.55 116.52 2tio h SER 236 Ca 0.40 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2tio h SER 236 Cb 0.41 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2tio h SER 236 CO -0.27 1.05 0.05 -0.25 -0.87 0.00 0.00 176.83 176.53 2tio h TRP 237 N 0.54 0.22 0.11 4.77 7.01 -1.61 -1.21 115.95 125.79 2tio h TRP 237 Ca 0.04 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.04 2tio h TRP 237 Cb 0.96 -0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.93 2tio h TRP 237 CO 0.05 0.33 -0.25 0.82 -2.79 0.00 0.00 178.44 176.59 2tio h ILE 238 N 0.04 0.44 -0.75 2.65 2.04 -0.61 -0.03 117.51 121.30 2tio h ILE 238 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 2tio h ILE 238 Cb 0.21 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 2tio h ILE 238 CO -0.00 0.00 0.48 0.11 0.00 0.00 0.00 178.15 178.73 2tio h LYS 239 N -0.46 0.90 -0.39 2.37 1.57 -1.22 -0.04 116.57 119.30 2tio h LYS 239 Ca 0.03 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2tio h LYS 239 Cb 0.48 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2tio h LYS 239 CO -0.15 0.60 -0.16 1.96 -0.57 0.00 0.00 179.45 181.13 2tio h GLN 240 N 0.93 0.80 -0.30 3.15 4.20 -0.97 -0.59 115.11 122.33 2tio h GLN 240 Ca 0.30 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2tio h GLN 240 Cb 0.02 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2tio h GLN 240 CO -0.11 0.96 0.06 1.15 -0.67 0.00 0.00 178.83 180.22 2tio h THR 241 N 0.61 1.22 -0.63 -0.54 2.02 -0.63 -2.05 112.91 112.92 2tio h THR 241 Ca 0.09 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 2tio h THR 241 Cb 0.70 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 2tio h THR 241 CO 0.05 0.25 0.24 0.40 0.37 0.00 0.00 175.52 176.83 2tio h ILE 242 N 0.33 1.24 -0.17 3.11 2.04 -0.98 -2.51 117.51 120.56 2tio h ILE 242 Ca 0.09 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 2tio h ILE 242 Cb 0.31 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2tio h ILE 242 CO 0.00 0.30 0.02 0.00 0.00 0.00 0.00 178.15 178.47 2tio h ALA 243 N 1.09 1.73 -0.18 1.87 0.00 -0.89 -2.55 119.26 120.33 2tio h ALA 243 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2tio h ALA 243 Cb 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2tio h ALA 243 CO -0.01 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 2tio n SER 244 N -4.41 2.70 0.00 0.00 3.41 -0.79 -5.09 113.62 109.44 2tio n SER 244 Ca -0.00 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 2tio n SER 244 Cb 0.15 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2tio n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47