#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmo s THR 2 N 0.00 4.28 0.28 1.12 -4.23 -1.26 -4.94 115.64 110.89 3dmo s THR 2 Ca 0.00 0.91 -0.03 0.00 -1.18 0.00 0.00 61.69 61.39 3dmo s THR 2 Cb 0.00 -3.60 0.27 0.00 1.34 0.00 0.00 72.50 70.51 3dmo s THR 2 CO 0.00 -0.81 1.93 0.45 -0.54 0.00 0.00 174.62 175.65 3dmo h HIS 3 N 0.07 1.16 -0.37 3.99 -0.00 -2.05 -1.85 115.15 116.10 3dmo h HIS 3 Ca -0.45 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 59.97 3dmo h HIS 3 Cb 1.20 -0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 28.19 3dmo h HIS 3 CO 0.63 0.68 0.18 1.25 -0.00 0.00 0.00 177.93 180.67 3dmo h HIS 4 N 1.20 0.34 -0.86 2.45 2.76 -1.99 0.05 115.15 119.11 3dmo h HIS 4 Ca 0.37 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.56 3dmo h HIS 4 Cb -0.02 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 28.80 3dmo h HIS 4 CO -0.00 0.18 0.57 0.00 -1.30 0.00 0.00 177.93 177.38 3dmo h ALA 5 N 1.19 1.09 -0.46 5.26 0.00 -1.84 -0.98 119.26 123.52 3dmo h ALA 5 Ca 0.15 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3dmo h ALA 5 Cb 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3dmo h ALA 5 CO -0.10 0.50 0.02 1.25 0.00 0.00 0.00 179.25 180.91 3dmo h LEU 6 N 1.17 0.78 -0.62 0.00 5.85 -0.95 -1.11 115.31 120.43 3dmo h LEU 6 Ca 0.32 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3dmo h LEU 6 Cb -0.13 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 3dmo h LEU 6 CO -0.07 0.89 0.41 0.40 -0.34 0.00 0.00 178.44 179.73 3dmo h ILE 7 N 0.65 1.15 -0.83 4.05 2.04 -0.78 -0.89 117.51 122.90 3dmo h ILE 7 Ca 0.13 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3dmo h ILE 7 Cb 0.48 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3dmo h ILE 7 CO 0.02 0.15 0.41 -0.33 0.00 0.00 0.00 178.15 178.40 3dmo h GLU 8 N 0.83 1.19 -0.87 2.37 4.39 -1.00 -0.38 114.58 121.11 3dmo h GLU 8 Ca 0.23 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3dmo h GLU 8 Cb -0.08 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.31 3dmo h GLU 8 CO -0.05 0.91 0.51 0.00 -1.16 0.00 0.00 179.01 179.21 3dmo h ALA 9 N 1.26 1.11 -0.41 3.43 0.00 -0.83 -1.08 119.26 122.74 3dmo h ALA 9 Ca 0.29 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3dmo h ALA 9 Cb 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3dmo h ALA 9 CO -0.04 0.59 -0.09 0.00 0.00 0.00 0.00 179.25 179.71 3dmo h ALA 10 N 1.27 1.07 -0.53 0.00 0.00 -0.39 0.07 119.26 120.75 3dmo h ALA 10 Ca 0.31 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3dmo h ALA 10 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dmo h ALA 10 CO -0.05 0.57 -0.05 0.87 0.00 0.00 0.00 179.25 180.59 3dmo h LYS 11 N 0.66 0.96 -0.60 0.00 1.57 -0.72 -1.02 116.57 117.42 3dmo h LYS 11 Ca 0.12 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 3dmo h LYS 11 Cb 0.54 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3dmo h LYS 11 CO 0.03 1.00 0.30 0.00 -0.57 0.00 0.00 179.45 180.21 3dmo h ALA 12 N 0.93 0.78 -0.73 3.86 0.00 -0.87 -2.86 119.26 120.37 3dmo h ALA 12 Ca 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3dmo h ALA 12 Cb 0.59 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3dmo h ALA 12 CO 0.04 0.33 0.46 0.00 0.00 0.00 0.00 179.25 180.08 3dmo h ALA 13 N 1.13 0.95 -0.67 0.00 0.00 -0.79 -2.89 119.26 117.00 3dmo h ALA 13 Ca 0.21 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3dmo h ALA 13 Cb 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3dmo h ALA 13 CO -0.03 0.26 0.44 -0.09 0.00 0.00 0.00 179.25 179.84 3dmo h ARG 14 N 0.91 0.52 0.00 0.00 2.43 -0.95 -1.86 114.38 115.43 3dmo h ARG 14 Ca 0.29 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3dmo h ARG 14 Cb -0.00 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3dmo h ARG 14 CO -0.10 0.34 -0.04 0.93 -1.51 0.00 0.00 179.97 179.59 3dmo h GLU 15 N 0.53 0.00 -0.43 0.20 4.39 -1.45 -2.42 114.58 115.41 3dmo h GLU 15 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 3dmo h GLU 15 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3dmo h GLU 15 CO -0.10 0.04 0.00 1.63 -1.16 0.00 0.00 179.01 179.42 3dmo n LYS 16 N -3.48 2.09 -1.99 2.33 5.02 -0.70 -4.98 118.16 116.46 3dmo n LYS 16 Ca -0.02 -1.69 -0.36 0.00 -2.02 0.00 0.00 58.31 54.22 3dmo n LYS 16 Cb 0.15 -1.39 0.04 0.00 -0.02 0.00 0.00 35.03 33.80 3dmo n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dmo s ALA 17 N -1.43 2.54 -0.44 7.82 0.00 -0.91 -4.98 121.76 124.36 3dmo s ALA 17 Ca 0.33 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 3dmo s ALA 17 Cb 0.17 -3.46 0.12 0.00 0.00 0.00 0.00 23.12 19.95 3dmo s ALA 17 CO 0.24 -1.20 0.21 -0.47 0.00 0.00 0.00 175.76 174.54 3dmo s TYR 18 N -1.56 3.57 -0.38 0.00 5.04 -0.59 -4.98 117.35 118.45 3dmo s TYR 18 Ca 0.78 -2.66 0.13 0.00 -2.44 0.00 0.00 57.07 52.87 3dmo s TYR 18 Cb -0.31 -3.12 0.40 0.00 0.35 0.00 0.00 41.96 39.28 3dmo s TYR 18 CO 0.34 -0.93 0.88 0.00 -1.34 0.00 0.00 175.55 174.50 3dmo n ALA 19 N 4.21 3.13 0.46 3.97 0.00 -1.26 -0.36 120.51 130.66 3dmo n ALA 19 Ca 0.01 -3.50 0.12 0.00 0.00 0.00 0.00 53.44 50.07 3dmo n ALA 19 Cb 0.40 -0.88 0.47 0.00 0.00 0.00 0.00 19.45 19.44 3dmo n ALA 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dmo n PRO 20 N 0.02 0.21 -0.07 0.00 -0.04 -1.26 -0.37 135.00 133.49 3dmo n PRO 20 Ca 0.20 0.37 -0.21 0.00 -0.04 0.00 0.00 63.50 63.82 3dmo n PRO 20 Cb 0.70 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 3dmo n PRO 20 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3dmo h TYR 21 N 0.00 0.13 0.00 0.54 -1.99 -1.96 -3.37 116.97 110.32 3dmo h TYR 21 Ca 0.00 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 3dmo h TYR 21 Cb 0.45 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.17 3dmo h TYR 21 CO 0.00 1.48 -0.88 0.66 -0.00 0.00 0.00 178.16 179.42 3dmo h SER 22 N -0.76 0.00 -2.67 3.88 4.64 -1.98 -3.48 113.55 113.18 3dmo h SER 22 Ca -0.31 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.64 3dmo h SER 22 Cb 1.43 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.47 3dmo h SER 22 CO -0.11 0.08 -0.44 0.59 -0.87 0.00 0.00 176.83 176.08 3dmo n ASN 23 N -2.78 -5.23 -3.93 4.97 3.02 0.50 -4.95 115.26 106.86 3dmo n ASN 23 Ca -0.00 0.15 -0.31 0.00 -0.03 0.00 0.00 54.58 54.39 3dmo n ASN 23 Cb 0.58 -4.45 -0.15 0.00 -0.61 0.00 0.00 39.78 35.16 3dmo n ASN 23 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dmo s PHE 24 N -2.83 3.13 0.08 3.10 5.36 -1.25 -5.06 117.98 120.51 3dmo s PHE 24 Ca 0.00 -2.61 -0.27 0.00 -0.96 0.00 0.00 56.93 53.10 3dmo s PHE 24 Cb 0.00 -2.54 -0.06 0.00 -0.34 0.00 0.00 43.02 40.08 3dmo s PHE 24 CO 0.00 -0.93 0.83 0.15 -1.46 0.00 0.00 175.22 173.82 3dmo s LYS 25 N 1.12 4.58 -0.01 10.12 1.02 -1.26 -4.88 119.74 130.42 3dmo s LYS 25 Ca 0.10 1.21 0.06 0.00 0.02 0.00 0.00 55.97 57.36 3dmo s LYS 25 Cb -0.18 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 3dmo s LYS 25 CO -0.13 0.30 -0.19 0.08 -0.92 0.00 0.00 175.35 174.49 3dmo s VAL 26 N -0.18 1.51 0.17 3.17 1.01 -1.26 -4.43 120.40 120.38 3dmo s VAL 26 Ca 0.41 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.66 3dmo s VAL 26 Cb -0.22 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3dmo s VAL 26 CO 0.26 0.41 -0.23 -0.83 0.00 0.00 0.00 175.10 174.71 3dmo s GLY 27 N -0.48 1.57 0.02 4.51 0.00 -0.43 -2.67 107.32 109.84 3dmo s GLY 27 Ca 0.07 -1.55 -0.03 0.00 0.00 0.00 0.00 44.72 43.22 3dmo s GLY 27 CO -0.01 -1.57 0.03 0.00 0.00 0.00 0.00 173.10 171.55 3dmo s ALA 28 N -1.65 -0.01 -0.06 3.20 0.00 0.15 -0.85 121.76 122.54 3dmo s ALA 28 Ca 0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 3dmo s ALA 28 Cb -0.08 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.23 3dmo s ALA 28 CO 0.08 -0.20 0.01 0.00 0.00 0.00 0.00 175.76 175.64 3dmo s ALA 29 N -1.70 0.55 -0.19 0.00 0.00 -0.36 -0.84 121.76 119.23 3dmo s ALA 29 Ca -0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 3dmo s ALA 29 Cb -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3dmo s ALA 29 CO -0.01 -0.34 -0.01 -1.17 0.00 0.00 0.00 175.76 174.22 3dmo s LEU 30 N 1.71 3.26 -0.15 0.00 2.96 -0.11 -0.56 118.68 125.79 3dmo s LEU 30 Ca 0.01 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 3dmo s LEU 30 Cb -0.13 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3dmo s LEU 30 CO -0.04 0.10 0.04 -0.69 -1.32 0.00 0.00 176.35 174.44 3dmo s VAL 31 N 0.78 4.62 0.65 1.68 1.01 -0.05 -0.48 120.40 128.61 3dmo s VAL 31 Ca -0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 3dmo s VAL 31 Cb -0.14 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.20 3dmo s VAL 31 CO 0.02 0.51 1.01 0.42 0.00 0.00 0.00 175.10 177.06 3dmo s THR 32 N -0.03 3.69 0.55 3.92 -4.23 -0.16 -0.55 115.64 118.83 3dmo s THR 32 Ca 0.05 0.31 0.23 0.00 -1.18 0.00 0.00 61.69 61.11 3dmo s THR 32 Cb -0.12 -3.51 0.33 0.00 1.34 0.00 0.00 72.50 70.54 3dmo s THR 32 CO 0.01 -0.61 2.15 0.78 -0.54 0.00 0.00 174.62 176.41 3dmo h ASN 33 N -0.42 0.00 -0.41 3.99 2.35 -1.49 -1.16 115.58 118.44 3dmo h ASN 33 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3dmo h ASN 33 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3dmo h ASN 33 CO 0.62 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.50 3dmo n ASP 34 N -4.19 2.63 0.00 5.81 3.85 -1.26 -4.96 116.55 118.43 3dmo n ASP 34 Ca -0.00 -1.93 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 3dmo n ASP 34 Cb 0.21 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 3dmo n ASP 34 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dmo n GLY 35 N 1.31 0.74 3.74 6.12 0.00 -0.44 -5.07 105.19 111.59 3dmo n GLY 35 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3dmo n GLY 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dmo s LYS 36 N -0.82 4.80 -0.15 1.61 2.36 -1.26 -4.78 119.74 121.50 3dmo s LYS 36 Ca 0.00 1.47 -0.05 0.00 -2.55 0.00 0.00 55.97 54.84 3dmo s LYS 36 Cb 0.00 -3.31 -0.03 0.00 -1.05 0.00 0.00 37.83 33.44 3dmo s LYS 36 CO 0.00 0.43 0.01 0.08 1.55 0.00 0.00 175.35 177.43 3dmo s VAL 37 N -0.83 4.39 -0.14 4.02 1.01 -1.26 -0.99 120.40 126.59 3dmo s VAL 37 Ca 0.43 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3dmo s VAL 37 Cb -0.25 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3dmo s VAL 37 CO 0.31 0.51 -0.20 -0.36 0.00 0.00 0.00 175.10 175.37 3dmo s PHE 38 N -0.00 2.70 0.37 5.22 0.08 0.37 -4.96 117.98 121.76 3dmo s PHE 38 Ca 0.04 -1.16 -0.21 0.00 0.12 0.00 0.00 56.93 55.72 3dmo s PHE 38 Cb -0.13 -1.82 -0.10 0.00 -0.57 0.00 0.00 43.02 40.40 3dmo s PHE 38 CO 0.02 -0.51 0.90 -1.01 -0.10 0.00 0.00 175.22 174.51 3dmo s HIS 39 N 0.71 3.44 0.00 0.36 3.76 -1.26 -0.93 115.29 121.37 3dmo s HIS 39 Ca -0.09 1.57 -0.01 0.00 -0.15 0.00 0.00 55.06 56.39 3dmo s HIS 39 Cb -0.16 -2.80 -0.01 0.00 1.11 0.00 0.00 32.58 30.72 3dmo s HIS 39 CO 0.01 0.03 0.01 0.20 -0.85 0.00 0.00 174.74 174.14 3dmo s GLY 40 N -2.02 0.09 0.06 -2.22 0.00 -0.02 -4.19 107.32 99.03 3dmo s GLY 40 Ca 0.56 -0.22 -0.00 0.00 0.00 0.00 0.00 44.72 45.07 3dmo s GLY 40 CO 0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 173.10 172.97 3dmo s ASN 42 N -2.78 6.79 -0.24 0.00 4.22 -1.09 -3.59 114.94 118.25 3dmo s ASN 42 Ca 0.06 2.42 -0.01 0.00 -2.14 0.00 0.00 52.86 53.19 3dmo s ASN 42 Cb 0.05 -2.63 0.07 0.00 1.28 0.00 0.00 41.25 40.02 3dmo s ASN 42 CO -0.08 -0.49 0.01 -0.69 -2.04 0.00 0.00 177.10 173.81 3dmo s VAL 43 N -1.27 1.07 0.66 3.54 1.01 0.06 -1.54 120.40 123.93 3dmo s VAL 43 Ca 0.51 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 3dmo s VAL 43 Cb -0.33 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.57 3dmo s VAL 43 CO 0.43 -0.27 0.94 -1.61 0.00 0.00 0.00 175.10 174.60 3dmo s GLU 44 N 1.58 2.27 -0.02 2.72 2.02 0.51 -0.76 118.70 127.02 3dmo s GLU 44 Ca -0.01 -0.45 -0.12 0.00 0.02 0.00 0.00 54.97 54.42 3dmo s GLU 44 Cb -0.18 -2.27 0.02 0.00 0.10 0.00 0.00 34.13 31.80 3dmo s GLU 44 CO -0.10 -1.10 0.26 1.21 0.02 0.00 0.00 175.26 175.55 3dmo s ASN 45 N -4.50 -0.14 0.40 -0.19 3.84 -1.26 -4.86 114.94 108.22 3dmo s ASN 45 Ca 0.60 0.06 0.13 0.00 0.21 0.00 0.00 52.86 53.86 3dmo s ASN 45 Cb -0.10 0.31 0.97 0.00 -0.55 0.00 0.00 41.25 41.87 3dmo s ASN 45 CO 0.43 -0.39 1.89 0.00 -2.79 0.00 0.00 177.10 176.23 3dmo h ALA 46 N 4.15 2.02 -1.65 1.71 0.00 -1.99 -3.23 119.26 120.27 3dmo h ALA 46 Ca -0.30 0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.03 3dmo h ALA 46 Cb 1.18 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 3dmo h ALA 46 CO 0.39 -0.26 0.69 0.45 0.00 0.00 0.00 179.25 180.53 3dmo s SER 47 N -5.82 6.26 0.35 0.00 0.15 -1.26 -4.94 113.70 108.44 3dmo s SER 47 Ca -0.09 -0.53 0.06 0.00 0.70 0.00 0.00 55.95 56.09 3dmo s SER 47 Cb 0.22 -2.46 0.73 0.00 -1.71 0.00 0.00 66.02 62.79 3dmo s SER 47 CO 0.78 -1.43 1.91 1.88 1.20 0.00 0.00 173.24 177.57 3dmo h TYR 48 N 9.55 0.85 0.00 3.44 0.99 -2.01 0.01 116.97 129.81 3dmo h TYR 48 Ca -0.27 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.48 3dmo h TYR 48 Cb 1.07 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 38.52 3dmo h TYR 48 CO 0.98 0.39 0.00 0.78 -0.00 0.00 0.00 178.16 180.31 3dmo h GLY 49 N 0.79 0.00 -0.94 3.88 0.00 -1.92 -0.60 103.07 104.29 3dmo h GLY 49 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3dmo h GLY 49 CO -0.16 0.00 -0.04 1.04 0.00 0.00 0.00 176.54 177.39 3dmo n LEU 50 N -2.40 2.00 -4.71 3.11 4.77 -0.01 -4.94 117.00 114.82 3dmo n LEU 50 Ca -0.01 -0.66 -0.41 0.00 -0.03 0.00 0.00 56.01 54.90 3dmo n LEU 50 Cb 0.08 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3dmo n LEU 50 CO 0.13 0.34 0.91 0.00 -1.33 0.00 0.00 177.39 177.44 3dmo s ASN 52 N -0.51 3.52 0.41 0.00 2.47 0.06 -4.99 114.94 115.90 3dmo s ASN 52 Ca 0.61 -0.38 -0.10 0.00 0.42 0.00 0.00 52.86 53.41 3dmo s ASN 52 Cb -0.50 -0.55 -0.06 0.00 -1.45 0.00 0.00 41.25 38.68 3dmo s ASN 52 CO 0.58 0.31 0.76 0.00 -3.72 0.00 0.00 177.10 175.03 3dmo h ALA 54 N 1.18 0.63 -0.61 0.00 0.00 -1.84 -0.40 119.26 118.22 3dmo h ALA 54 Ca -0.47 0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.65 3dmo h ALA 54 Cb 1.19 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 3dmo h ALA 54 CO 0.64 -0.38 0.36 0.93 0.00 0.00 0.00 179.25 180.80 3dmo h GLU 55 N 0.15 0.69 -0.24 0.00 3.07 -1.88 -0.99 114.58 115.37 3dmo h GLU 55 Ca 0.32 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.99 3dmo h GLU 55 Cb 0.51 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3dmo h GLU 55 CO -0.50 0.46 -0.43 0.00 -1.40 0.00 0.00 179.01 177.14 3dmo h ARG 56 N 0.71 0.72 -0.58 2.33 3.08 -1.84 -2.15 114.38 116.64 3dmo h ARG 56 Ca 0.25 -0.45 0.10 0.00 0.07 0.00 0.00 59.98 59.95 3dmo h ARG 56 Cb 0.06 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 3dmo h ARG 56 CO -0.12 1.07 0.17 1.15 -1.07 0.00 0.00 179.97 181.17 3dmo h THR 57 N 0.44 0.72 -0.14 2.04 2.02 -0.74 0.16 112.91 117.41 3dmo h THR 57 Ca 0.02 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3dmo h THR 57 Cb 1.03 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3dmo h THR 57 CO 0.10 0.06 0.05 0.00 0.37 0.00 0.00 175.52 176.10 3dmo h ALA 58 N 1.43 0.18 -0.51 6.16 0.00 -1.08 -2.09 119.26 123.35 3dmo h ALA 58 Ca 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3dmo h ALA 58 Cb 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3dmo h ALA 58 CO -0.34 -0.22 0.22 -0.07 0.00 0.00 0.00 179.25 178.84 3dmo h LEU 59 N 0.06 0.69 -0.84 0.00 3.38 -1.07 -1.77 115.31 115.75 3dmo h LEU 59 Ca 0.05 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3dmo h LEU 59 Cb 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3dmo h LEU 59 CO -0.00 0.65 0.34 -0.26 0.09 0.00 0.00 178.44 179.25 3dmo h PHE 60 N 0.68 1.21 -0.62 1.13 0.05 -0.68 -1.20 116.94 117.51 3dmo h PHE 60 Ca 0.17 -0.08 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 3dmo h PHE 60 Cb 0.16 -0.37 -0.03 0.00 2.00 0.00 0.00 35.95 37.72 3dmo h PHE 60 CO 0.00 0.90 0.34 1.03 -0.18 0.00 0.00 178.31 180.40 3dmo h SER 61 N 1.17 0.77 -0.47 2.17 0.87 -1.18 -0.81 113.55 116.07 3dmo h SER 61 Ca 0.27 -0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3dmo h SER 61 Cb 0.19 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3dmo h SER 61 CO -0.03 0.64 0.11 0.00 -0.53 0.00 0.00 176.83 177.02 3dmo h ALA 62 N 1.16 0.62 -0.65 6.23 0.00 -0.92 -1.62 119.26 124.09 3dmo h ALA 62 Ca 0.22 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3dmo h ALA 62 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3dmo h ALA 62 CO -0.04 0.32 0.41 -0.07 0.00 0.00 0.00 179.25 179.87 3dmo h LEU 63 N 0.64 0.68 -1.92 0.00 -0.00 -1.09 -1.89 115.31 111.72 3dmo h LEU 63 Ca 0.15 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 3dmo h LEU 63 Cb 0.34 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.85 3dmo h LEU 63 CO 0.00 0.48 -0.12 0.00 -0.00 0.00 0.00 178.44 178.80 3dmo h ALA 64 N 1.27 1.46 0.00 1.53 0.00 -0.83 -0.81 119.26 121.87 3dmo h ALA 64 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dmo h ALA 64 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dmo h ALA 64 CO -0.09 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 3dmo n ALA 65 N -2.36 2.37 0.00 0.00 0.00 -0.64 -4.92 120.51 114.96 3dmo n ALA 65 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3dmo n ALA 65 Cb 0.21 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3dmo n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dmo n GLY 66 N 1.40 0.89 3.78 0.00 0.00 -0.31 -5.10 105.19 105.86 3dmo n GLY 66 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3dmo n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dmo s TYR 67 N -2.00 2.78 0.25 1.61 2.02 -0.76 -4.99 117.35 116.25 3dmo s TYR 67 Ca 0.00 1.55 0.10 0.00 -0.37 0.00 0.00 57.07 58.35 3dmo s TYR 67 Cb 0.00 -3.25 -0.04 0.00 -0.40 0.00 0.00 41.96 38.27 3dmo s TYR 67 CO 0.00 -1.39 -0.06 1.03 -1.57 0.00 0.00 175.55 173.56 3dmo s ARG 68 N -3.18 2.12 0.21 -0.62 1.81 -1.26 -4.17 118.95 113.86 3dmo s ARG 68 Ca 0.70 -1.45 -0.32 0.00 -1.72 0.00 0.00 55.73 52.95 3dmo s ARG 68 Cb -0.23 -2.09 -0.15 0.00 -0.45 0.00 0.00 34.95 32.04 3dmo s ARG 68 CO 0.26 0.38 1.23 -2.30 -0.68 0.00 0.00 175.30 174.19 3dmo n PRO 69 N -0.61 1.52 -0.30 3.54 -0.02 -1.26 -2.03 135.00 135.84 3dmo n PRO 69 Ca -0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3dmo n PRO 69 Cb 0.58 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3dmo n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dmo n GLY 70 N 1.95 0.92 1.56 -1.23 0.00 -0.36 -4.93 105.19 103.09 3dmo n GLY 70 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 3dmo n GLY 70 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dmo n GLU 71 N -2.00 3.69 -4.63 1.61 1.02 -0.86 -4.93 120.64 114.54 3dmo n GLU 71 Ca 0.00 -2.30 -0.30 0.00 -0.02 0.00 0.00 57.16 54.54 3dmo n GLU 71 Cb 0.00 -2.05 -0.13 0.00 -0.02 0.00 0.00 31.44 29.24 3dmo n GLU 71 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3dmo s PHE 72 N -2.30 2.47 -0.24 -0.32 0.40 -1.26 -1.36 117.98 115.36 3dmo s PHE 72 Ca 0.40 -0.31 -0.18 0.00 -0.60 0.00 0.00 56.93 56.24 3dmo s PHE 72 Cb 0.31 -1.40 -0.16 0.00 0.51 0.00 0.00 43.02 42.28 3dmo s PHE 72 CO 0.11 0.26 -0.07 0.00 0.70 0.00 0.00 175.22 176.22 3dmo n ALA 73 N 1.40 0.98 -3.30 5.36 0.00 0.29 -4.67 120.51 120.57 3dmo n ALA 73 Ca -0.16 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.37 3dmo n ALA 73 Cb 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 3dmo n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dmo s ALA 74 N -2.44 -1.41 -0.04 0.00 0.00 -1.14 -3.04 121.76 113.69 3dmo s ALA 74 Ca -0.34 0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.99 3dmo s ALA 74 Cb 0.10 0.82 0.01 0.00 0.00 0.00 0.00 23.12 24.05 3dmo s ALA 74 CO 0.54 -0.73 -0.09 -1.50 0.00 0.00 0.00 175.76 173.99 3dmo s ILE 75 N -3.72 0.80 -0.07 0.00 2.07 -0.24 -0.87 121.20 119.16 3dmo s ILE 75 Ca 0.01 -0.32 -0.03 0.00 -1.41 0.00 0.00 60.65 58.90 3dmo s ILE 75 Cb -0.00 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 3dmo s ILE 75 CO -0.12 0.26 0.07 0.00 -1.91 0.00 0.00 174.94 173.24 3dmo s ALA 76 N 0.49 3.55 -0.02 1.50 0.00 0.27 -0.23 121.76 127.32 3dmo s ALA 76 Ca -0.08 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3dmo s ALA 76 Cb -0.12 -1.65 -0.00 0.00 0.00 0.00 0.00 23.12 21.35 3dmo s ALA 76 CO 0.01 0.63 -0.10 0.08 0.00 0.00 0.00 175.76 176.37 3dmo s VAL 77 N -1.01 0.86 -0.06 0.00 1.01 -0.05 -1.22 120.40 119.92 3dmo s VAL 77 Ca 0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 3dmo s VAL 77 Cb -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.54 3dmo s VAL 77 CO 0.06 0.26 0.15 0.54 0.00 0.00 0.00 175.10 176.10 3dmo s VAL 78 N 0.01 -0.01 0.31 2.92 0.11 -0.03 -1.54 120.40 122.16 3dmo s VAL 78 Ca -0.00 0.05 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 3dmo s VAL 78 Cb -0.07 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 34.57 3dmo s VAL 78 CO 0.00 0.02 0.52 -0.83 -3.33 0.00 0.00 175.10 171.49 3dmo s GLY 79 N 0.42 0.92 -1.38 6.54 0.00 -1.24 -1.32 107.32 111.26 3dmo s GLY 79 Ca -0.03 -1.14 -0.11 0.00 0.00 0.00 0.00 44.72 43.44 3dmo s GLY 79 CO -0.02 -0.74 2.13 -2.21 0.00 0.00 0.00 173.10 172.26 3dmo n GLU 80 N -0.48 3.40 -3.90 2.90 2.13 -1.26 -2.83 120.64 120.60 3dmo n GLU 80 Ca -0.02 -3.06 -0.21 0.00 0.66 0.00 0.00 57.16 54.53 3dmo n GLU 80 Cb 0.61 -3.04 -0.04 0.00 0.27 0.00 0.00 31.44 29.25 3dmo n GLU 80 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3dmo s THR 81 N 1.49 3.84 0.08 6.31 -4.23 -1.26 -4.98 115.64 116.89 3dmo s THR 81 Ca 0.46 -1.37 -0.31 0.00 -1.18 0.00 0.00 61.69 59.28 3dmo s THR 81 Cb 0.13 -3.26 -0.17 0.00 1.34 0.00 0.00 72.50 70.53 3dmo s THR 81 CO -0.04 -0.23 1.64 -0.74 -0.54 0.00 0.00 174.62 174.70 3dmo h HIS 82 N 1.31 -0.76 -3.48 3.99 2.76 -1.99 -3.43 115.15 113.55 3dmo h HIS 82 Ca -0.46 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 3dmo h HIS 82 Cb 1.25 0.26 0.00 0.00 1.55 0.00 0.00 27.41 30.47 3dmo h HIS 82 CO 0.54 -0.46 0.00 0.41 -1.30 0.00 0.00 177.93 177.12 3dmo n GLY 83 N -1.43 3.07 3.69 5.26 0.00 -1.26 -5.01 105.19 109.50 3dmo n GLY 83 Ca -0.12 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 3dmo n GLY 83 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dmo n PRO 84 N -0.35 2.08 -1.77 1.61 -0.02 -1.26 -4.50 135.00 130.79 3dmo n PRO 84 Ca 0.00 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 3dmo n PRO 84 Cb 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 3dmo n PRO 84 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3dmo n ILE 85 N 0.94 2.10 -3.62 4.25 3.06 -0.79 -4.82 119.36 120.48 3dmo n ILE 85 Ca 0.07 -0.50 -0.38 0.00 -2.50 0.00 0.00 62.75 59.45 3dmo n ILE 85 Cb 0.34 -1.92 -0.11 0.00 0.54 0.00 0.00 39.64 38.49 3dmo n ILE 85 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dmo s ALA 86 N -1.13 3.45 0.36 1.51 0.00 -1.26 -4.60 121.76 120.09 3dmo s ALA 86 Ca 0.54 -1.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.10 3dmo s ALA 86 Cb -0.48 -2.42 -0.10 0.00 0.00 0.00 0.00 23.12 20.12 3dmo s ALA 86 CO 0.63 -0.58 1.30 -2.14 0.00 0.00 0.00 175.76 174.97 3dmo s PRO 87 N 1.73 4.22 0.80 0.00 0.02 -1.26 -5.00 135.00 135.51 3dmo s PRO 87 Ca 0.07 2.18 -0.11 0.00 0.02 0.00 0.00 61.00 63.16 3dmo s PRO 87 Cb -0.16 -2.95 0.07 0.00 0.02 0.00 0.00 34.50 31.48 3dmo s PRO 87 CO 0.09 -0.29 1.09 0.00 -0.33 0.00 0.00 177.00 177.56 3dmo h GLY 89 N -1.19 0.95 0.94 0.00 0.00 -1.98 -2.15 103.07 99.63 3dmo h GLY 89 Ca -0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 3dmo h GLY 89 CO 0.53 0.16 0.16 0.00 0.00 0.00 0.00 176.54 177.39 3dmo h ALA 90 N 1.62 0.45 -0.89 3.60 0.00 -2.00 -2.14 119.26 119.90 3dmo h ALA 90 Ca 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3dmo h ALA 90 Cb 0.48 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3dmo h ALA 90 CO -0.13 0.02 0.48 0.00 0.00 0.00 0.00 179.25 179.63 3dmo h ARG 92 N 1.25 1.19 -0.54 0.00 3.08 -1.12 0.24 114.38 118.47 3dmo h ARG 92 Ca 0.31 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 3dmo h ARG 92 Cb 0.03 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3dmo h ARG 92 CO -0.05 0.86 -0.04 0.37 -1.07 0.00 0.00 179.97 180.04 3dmo h GLN 93 N 1.20 0.96 -0.10 0.04 5.75 -1.16 -1.26 115.11 120.54 3dmo h GLN 93 Ca 0.31 -0.31 -0.18 0.00 -0.15 0.00 0.00 58.65 58.31 3dmo h GLN 93 Cb 0.00 -0.08 0.01 0.00 1.07 0.00 0.00 27.48 28.48 3dmo h GLN 93 CO -0.05 0.97 -0.65 0.28 -2.65 0.00 0.00 178.83 176.73 3dmo h VAL 94 N 0.87 1.34 -0.94 2.39 2.07 -1.06 -3.07 116.25 117.85 3dmo h VAL 94 Ca 0.15 -1.94 0.03 0.00 0.82 0.00 0.00 66.70 65.76 3dmo h VAL 94 Cb 0.57 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 3dmo h VAL 94 CO 0.03 0.59 0.61 0.24 0.02 0.00 0.00 177.57 179.07 3dmo h MET 95 N 0.25 1.17 -0.34 1.57 2.86 -0.42 -1.11 114.93 118.92 3dmo h MET 95 Ca -0.05 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.40 3dmo h MET 95 Cb 1.30 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 3dmo h MET 95 CO 0.13 0.77 -0.27 0.97 1.06 0.00 0.00 176.91 179.57 3dmo h ILE 96 N 1.20 1.28 -0.02 -1.22 2.10 -1.26 0.48 117.51 120.07 3dmo h ILE 96 Ca 0.36 -1.38 -0.10 0.00 1.08 0.00 0.00 64.86 64.82 3dmo h ILE 96 Cb -0.04 1.31 0.01 0.00 -1.09 0.00 0.00 36.82 37.01 3dmo h ILE 96 CO -0.11 0.45 -0.36 -0.08 -1.08 0.00 0.00 178.15 176.98 3dmo h GLU 97 N 0.60 0.28 0.03 2.19 4.81 -1.41 -1.58 114.58 119.50 3dmo h GLU 97 Ca 0.08 -0.27 -0.25 0.00 -0.13 0.00 0.00 59.36 58.78 3dmo h GLU 97 Cb 0.77 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 3dmo h GLU 97 CO 0.06 0.96 -1.31 -0.07 -0.73 0.00 0.00 179.01 177.92 3dmo h LEU 98 N -0.29 0.09 0.00 1.64 3.38 -1.21 -3.36 115.31 115.55 3dmo h LEU 98 Ca -0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3dmo h LEU 98 Cb 1.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3dmo h LEU 98 CO 0.07 1.10 -1.62 0.61 0.09 0.00 0.00 178.44 178.69 3dmo n GLY 99 N 1.47 -1.15 0.51 0.83 0.00 0.17 -1.22 105.19 105.80 3dmo n GLY 99 Ca -0.08 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.54 3dmo n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dmo n LYS 100 N -2.34 -1.25 -0.09 1.61 4.76 -0.59 -3.75 118.16 116.52 3dmo n LYS 100 Ca -0.02 1.00 0.25 0.00 -2.87 0.00 0.00 58.31 56.67 3dmo n LYS 100 Cb 0.55 -1.35 0.72 0.00 -1.84 0.00 0.00 35.03 33.11 3dmo n LYS 100 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3dmo h PRO 101 N -0.27 0.00 -0.00 1.97 0.11 -1.88 -1.69 132.00 130.24 3dmo h PRO 101 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3dmo h PRO 101 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3dmo h PRO 101 CO 0.02 0.00 -0.06 0.25 -0.21 0.00 0.00 178.00 178.00 3dmo n THR 102 N -4.18 0.00 -1.66 -1.15 -2.24 -1.26 -0.49 114.28 103.31 3dmo n THR 102 Ca 0.15 -0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.42 3dmo n THR 102 Cb 0.83 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 3dmo n THR 102 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3dmo n LEU 103 N -1.46 2.53 -4.72 3.22 7.94 -0.63 -4.78 117.00 119.10 3dmo n LEU 103 Ca 0.08 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.63 3dmo n LEU 103 Cb 0.33 -1.28 -0.03 0.00 0.53 0.00 0.00 43.42 42.97 3dmo n LEU 103 CO 0.27 -0.52 0.76 -0.70 -1.11 0.00 0.00 177.39 176.09 3dmo s GLU 104 N 1.96 4.56 -0.21 1.96 2.12 -1.17 -1.18 118.70 126.75 3dmo s GLU 104 Ca 0.88 1.58 0.02 0.00 0.36 0.00 0.00 54.97 57.80 3dmo s GLU 104 Cb -0.86 -3.38 0.04 0.00 0.26 0.00 0.00 34.13 30.19 3dmo s GLU 104 CO 0.50 -0.03 -0.15 0.08 -0.54 0.00 0.00 175.26 175.11 3dmo s VAL 105 N 0.59 1.98 -0.39 3.70 1.01 0.52 -1.07 120.40 126.74 3dmo s VAL 105 Ca 0.52 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3dmo s VAL 105 Cb -0.25 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.21 3dmo s VAL 105 CO 0.30 0.28 0.25 -0.69 0.00 0.00 0.00 175.10 175.24 3dmo s VAL 106 N 1.26 4.77 -0.13 2.92 1.01 0.68 -0.60 120.40 130.32 3dmo s VAL 106 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3dmo s VAL 106 Cb -0.16 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3dmo s VAL 106 CO -0.09 -0.29 0.04 -0.76 0.00 0.00 0.00 175.10 173.99 3dmo s LEU 107 N 1.58 3.74 0.32 3.92 1.43 0.43 -0.87 118.68 129.23 3dmo s LEU 107 Ca 0.03 0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 3dmo s LEU 107 Cb -0.20 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3dmo s LEU 107 CO 0.07 0.30 0.55 0.28 0.23 0.00 0.00 176.35 177.78 3dmo s THR 108 N -0.38 0.00 0.00 5.49 -1.32 -0.59 -0.81 115.64 118.03 3dmo s THR 108 Ca 0.08 -1.40 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 3dmo s THR 108 Cb -0.12 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 3dmo s THR 108 CO 0.02 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.97 3dmo n ASN 109 N -1.08 0.60 -0.47 8.08 0.23 -1.14 -1.89 115.26 119.60 3dmo n ASN 109 Ca -0.02 -0.66 0.08 0.00 -0.53 0.00 0.00 54.58 53.46 3dmo n ASN 109 Cb 0.61 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.62 3dmo n ASN 109 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3dmo n MET 110 N 0.00 1.60 -0.03 -3.83 2.81 -1.13 -3.86 117.12 112.68 3dmo n MET 110 Ca 0.00 -0.92 0.02 0.00 -1.81 0.00 0.00 57.70 54.99 3dmo n MET 110 Cb 0.00 -1.32 0.04 0.00 -0.71 0.00 0.00 33.22 31.23 3dmo n MET 110 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3dmo n GLN 111 N 0.18 0.98 -0.29 0.03 6.02 -1.26 -5.00 117.38 118.03 3dmo n GLN 111 Ca 0.13 -1.17 0.00 0.00 -0.01 0.00 0.00 57.00 55.95 3dmo n GLN 111 Cb 0.26 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.42 3dmo n GLN 111 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dmo n GLY 112 N 0.15 0.73 3.70 1.08 0.00 -1.25 -5.05 105.19 104.55 3dmo n GLY 112 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3dmo n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dmo s ASP 113 N -2.60 7.21 0.03 1.61 1.01 -1.26 -4.95 116.67 117.72 3dmo s ASP 113 Ca 0.00 1.71 0.06 0.00 0.71 0.00 0.00 52.55 55.03 3dmo s ASP 113 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3dmo s ASP 113 CO 0.00 -0.43 -0.17 -0.69 0.21 0.00 0.00 175.17 174.09 3dmo s VAL 114 N 1.62 1.33 -0.02 -1.27 1.01 -1.26 -2.88 120.40 118.93 3dmo s VAL 114 Ca 0.53 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3dmo s VAL 114 Cb -0.22 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3dmo s VAL 114 CO 0.24 0.17 0.02 -0.60 0.00 0.00 0.00 175.10 174.92 3dmo s ARG 115 N -0.93 0.07 -0.13 2.72 3.52 0.01 -4.97 118.95 119.24 3dmo s ARG 115 Ca 0.05 0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 55.74 3dmo s ARG 115 Cb -0.08 -0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.00 3dmo s ARG 115 CO 0.01 -0.13 -0.00 0.08 -0.81 0.00 0.00 175.30 174.44 3dmo s VAL 116 N 0.90 4.23 0.00 7.11 1.01 -1.26 -0.42 120.40 131.96 3dmo s VAL 116 Ca -0.08 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3dmo s VAL 116 Cb -0.11 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3dmo s VAL 116 CO -0.02 0.53 0.00 1.07 0.00 0.00 0.00 175.10 176.68 3dmo n THR 117 N 3.00 0.00 -4.40 3.92 5.66 0.23 -4.99 114.28 117.69 3dmo n THR 117 Ca -0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.62 3dmo n THR 117 Cb 0.53 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.21 3dmo n THR 117 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3dmo s SER 118 N -0.74 2.71 0.33 1.09 1.04 -1.26 -0.35 113.70 116.52 3dmo s SER 118 Ca 0.00 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.30 3dmo s SER 118 Cb 0.00 -0.16 0.57 0.00 0.10 0.00 0.00 66.02 66.53 3dmo s SER 118 CO 0.00 -0.28 1.99 0.00 0.98 0.00 0.00 173.24 175.93 3dmo h ALA 119 N 2.37 1.51 -0.45 5.32 0.00 -1.01 -2.54 119.26 124.45 3dmo h ALA 119 Ca -0.39 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3dmo h ALA 119 Cb 1.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3dmo h ALA 119 CO 0.65 0.45 -0.09 0.78 0.00 0.00 0.00 179.25 181.04 3dmo h GLY 120 N 0.95 0.93 1.69 0.00 0.00 -1.04 -2.94 103.07 102.66 3dmo h GLY 120 Ca 0.27 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 3dmo h GLY 120 CO -0.06 0.69 -0.10 -0.55 0.00 0.00 0.00 176.54 176.52 3dmo h ASP 121 N 0.70 0.37 1.17 0.19 3.32 -1.74 -2.68 116.42 117.75 3dmo h ASP 121 Ca 0.12 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3dmo h ASP 121 Cb 0.63 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 3dmo h ASP 121 CO 0.04 0.51 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.85 3dmo h LEU 122 N 0.36 0.00 -6.36 1.55 3.38 -1.35 -3.38 115.31 109.52 3dmo h LEU 122 Ca 0.07 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.46 3dmo h LEU 122 Cb 0.41 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.77 3dmo h LEU 122 CO 0.02 0.15 -0.95 -0.11 0.09 0.00 0.00 178.44 177.65 3dmo n LEU 123 N -3.25 0.19 -4.77 1.67 7.94 -1.01 -5.06 117.00 112.72 3dmo n LEU 123 Ca 0.01 -4.57 -0.40 0.00 -1.11 0.00 0.00 56.01 49.94 3dmo n LEU 123 Cb 0.44 0.38 -0.00 0.00 0.53 0.00 0.00 43.42 44.76 3dmo n LEU 123 CO 0.32 1.90 1.00 -2.84 -1.11 0.00 0.00 177.39 176.66 3dmo s PRO 124 N -0.47 4.03 -1.11 1.96 0.02 -1.23 -3.42 135.00 134.79 3dmo s PRO 124 Ca 0.33 2.25 -0.23 0.00 0.02 0.00 0.00 61.00 63.37 3dmo s PRO 124 Cb 0.06 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.77 3dmo s PRO 124 CO -0.17 -0.47 0.72 -0.25 -0.33 0.00 0.00 177.00 176.50 3dmo n ASP 125 N 0.26 -4.92 -4.82 2.53 8.00 -1.26 -4.92 116.55 111.42 3dmo n ASP 125 Ca 0.03 -1.08 -0.31 0.00 0.71 0.00 0.00 54.79 54.13 3dmo n ASP 125 Cb 0.42 -2.55 0.04 0.00 -0.02 0.00 0.00 41.12 39.02 3dmo n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dmo s ALA 126 N -3.40 2.72 -2.00 2.24 0.00 -1.22 -5.29 121.76 114.82 3dmo s ALA 126 Ca 0.40 0.15 0.22 0.00 0.00 0.00 0.00 51.96 52.72 3dmo s ALA 126 Cb -0.18 -3.18 1.31 0.00 0.00 0.00 0.00 23.12 21.07 3dmo s ALA 126 CO 0.91 -1.08 1.68 0.34 0.00 0.00 0.00 175.76 177.61