#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imt s LEU 12 N 0.00 0.03 0.03 1.53 2.96 -1.26 -0.78 118.68 121.19 3imt s LEU 12 Ca 0.00 0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 3imt s LEU 12 Cb 0.00 0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.77 3imt s LEU 12 CO 0.00 -0.26 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.29 3imt s MET 13 N 2.24 1.12 -0.07 1.98 -2.45 -0.19 -4.39 119.30 117.54 3imt s MET 13 Ca 0.04 -0.77 0.04 0.00 -1.25 0.00 0.00 55.69 53.75 3imt s MET 13 Cb -0.13 -1.15 0.00 0.00 1.25 0.00 0.00 34.83 34.80 3imt s MET 13 CO -0.06 0.30 -0.18 0.08 1.05 0.00 0.00 175.02 176.21 3imt s VAL 14 N -0.73 1.54 -0.05 10.11 1.01 -0.92 -0.80 120.40 130.56 3imt s VAL 14 Ca 0.04 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3imt s VAL 14 Cb -0.08 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.96 3imt s VAL 14 CO 0.01 0.44 -0.15 -0.75 0.00 0.00 0.00 175.10 174.65 3imt s LYS 15 N 0.33 1.72 -0.04 2.72 2.20 -0.16 -0.24 119.74 126.27 3imt s LYS 15 Ca -0.12 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 3imt s LYS 15 Cb -0.15 -1.47 0.02 0.00 -1.51 0.00 0.00 37.83 34.72 3imt s LYS 15 CO 0.05 0.17 -0.07 0.08 -0.36 0.00 0.00 175.35 175.21 3imt s VAL 16 N 0.24 0.72 0.18 4.02 1.01 -0.13 -0.72 120.40 125.73 3imt s VAL 16 Ca -0.07 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 61.75 3imt s VAL 16 Cb -0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3imt s VAL 16 CO 0.03 0.26 -0.22 -0.76 0.00 0.00 0.00 175.10 174.40 3imt s LEU 17 N 0.67 2.43 -0.25 3.92 1.43 -0.08 -1.21 118.68 125.60 3imt s LEU 17 Ca -0.11 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.09 3imt s LEU 17 Cb -0.13 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.04 3imt s LEU 17 CO 0.01 0.07 -0.01 -0.62 0.23 0.00 0.00 176.35 176.03 3imt s ASP 18 N -2.65 4.54 0.05 2.29 -1.08 0.31 -0.96 116.67 119.17 3imt s ASP 18 Ca 0.19 -0.60 0.28 0.00 -0.52 0.00 0.00 52.55 51.89 3imt s ASP 18 Cb -0.07 -1.76 1.02 0.00 -1.46 0.00 0.00 42.92 40.65 3imt s ASP 18 CO 0.09 -0.09 1.81 0.00 0.52 0.00 0.00 175.17 177.49 3imt n ALA 19 N 4.78 2.49 -0.06 3.66 0.00 -0.06 -1.37 120.51 129.95 3imt n ALA 19 Ca -0.17 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 3imt n ALA 19 Cb 0.49 -1.42 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 3imt n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3imt h VAL 20 N 0.00 1.10 0.00 0.00 2.07 -1.95 -3.39 116.25 114.08 3imt h VAL 20 Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 3imt h VAL 20 Cb 0.56 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3imt h VAL 20 CO 0.00 0.50 -0.87 0.54 0.02 0.00 0.00 177.57 177.77 3imt n ARG 21 N -4.28 0.00 -2.90 1.57 1.74 -1.25 -4.99 116.66 106.55 3imt n ARG 21 Ca -0.26 -0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.71 3imt n ARG 21 Cb 0.72 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.72 3imt n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3imt n GLY 22 N 1.50 -0.22 3.34 -0.13 0.00 -0.47 -5.04 105.19 104.17 3imt n GLY 22 Ca 0.04 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3imt n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3imt s SER 23 N -3.74 0.03 0.69 1.61 1.04 -1.07 -5.01 113.70 107.25 3imt s SER 23 Ca 0.09 -0.84 -0.17 0.00 0.48 0.00 0.00 55.95 55.51 3imt s SER 23 Cb -0.01 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.56 3imt s SER 23 CO 0.50 -0.89 1.25 -0.81 0.98 0.00 0.00 173.24 174.27 3imt n PRO 24 N -0.21 0.84 -3.21 4.02 -0.04 -1.26 -0.53 135.00 134.61 3imt n PRO 24 Ca -0.08 0.35 -0.44 0.00 -0.04 0.00 0.00 63.50 63.29 3imt n PRO 24 Cb 0.63 -2.49 -0.07 0.00 -0.04 0.00 0.00 33.50 31.53 3imt n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3imt s ALA 25 N -1.60 3.41 0.03 0.55 0.00 -0.35 -4.56 121.76 119.25 3imt s ALA 25 Ca 0.80 -1.73 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 3imt s ALA 25 Cb -0.36 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 3imt s ALA 25 CO 0.43 -1.90 0.43 0.42 0.00 0.00 0.00 175.76 175.14 3imt s ILE 26 N 2.44 5.01 -1.37 0.00 1.01 -1.26 -4.32 121.20 122.70 3imt s ILE 26 Ca 0.14 0.81 -0.06 0.00 0.00 0.00 0.00 60.65 61.54 3imt s ILE 26 Cb -0.19 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.57 3imt s ILE 26 CO 0.12 0.52 0.80 -3.20 0.00 0.00 0.00 174.94 173.17 3imt n ASN 27 N 1.62 -5.95 -4.67 3.58 4.05 -0.46 -4.95 115.26 108.48 3imt n ASN 27 Ca -0.12 -0.37 -0.41 0.00 0.45 0.00 0.00 54.58 54.13 3imt n ASN 27 Cb 0.52 -4.69 -0.04 0.00 1.23 0.00 0.00 39.78 36.80 3imt n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3imt s VAL 28 N -3.21 4.91 0.26 3.44 1.01 -1.26 -4.77 120.40 120.78 3imt s VAL 28 Ca 0.40 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 3imt s VAL 28 Cb -0.17 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 3imt s VAL 28 CO 0.49 0.06 1.06 0.00 0.00 0.00 0.00 175.10 176.71 3imt s ALA 29 N 1.99 3.39 -0.05 5.51 0.00 -1.26 -1.17 121.76 130.16 3imt s ALA 29 Ca 0.38 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3imt s ALA 29 Cb -0.17 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3imt s ALA 29 CO 0.13 -0.08 -0.03 0.08 0.00 0.00 0.00 175.76 175.86 3imt s VAL 30 N -1.08 0.48 -0.06 0.00 1.01 0.01 -0.84 120.40 119.93 3imt s VAL 30 Ca 0.44 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.42 3imt s VAL 30 Cb -0.30 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3imt s VAL 30 CO 0.38 0.23 -0.23 -1.00 0.00 0.00 0.00 175.10 174.48 3imt s HIS 31 N 1.15 2.49 -0.12 5.22 3.76 0.15 -1.26 115.29 126.68 3imt s HIS 31 Ca -0.07 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 3imt s HIS 31 Cb -0.14 -1.62 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 3imt s HIS 31 CO -0.01 -0.17 -0.12 0.08 -0.85 0.00 0.00 174.74 173.66 3imt s VAL 32 N -0.18 3.15 0.23 -0.90 1.01 0.14 -0.21 120.40 123.65 3imt s VAL 32 Ca -0.03 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.43 3imt s VAL 32 Cb -0.14 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 3imt s VAL 32 CO 0.03 0.54 -0.21 -0.36 0.00 0.00 0.00 175.10 175.10 3imt s PHE 33 N 0.13 2.19 -0.05 5.22 0.40 0.38 -0.88 117.98 125.37 3imt s PHE 33 Ca -0.06 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 3imt s PHE 33 Cb -0.15 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.38 3imt s PHE 33 CO 0.04 0.58 -0.14 0.50 0.70 0.00 0.00 175.22 176.90 3imt s ARG 34 N -3.19 1.68 0.01 0.44 3.52 0.14 -0.74 118.95 120.80 3imt s ARG 34 Ca 0.25 -0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 55.04 3imt s ARG 34 Cb -0.06 -1.43 -0.05 0.00 -1.56 0.00 0.00 34.95 31.85 3imt s ARG 34 CO 0.12 0.15 1.32 0.21 -0.81 0.00 0.00 175.30 176.29 3imt s LYS 35 N 0.29 4.32 0.71 5.12 2.20 0.16 -1.09 119.74 131.45 3imt s LYS 35 Ca -0.08 1.88 -0.05 0.00 -0.36 0.00 0.00 55.97 57.36 3imt s LYS 35 Cb -0.13 -3.51 0.09 0.00 -1.51 0.00 0.00 37.83 32.77 3imt s LYS 35 CO 0.03 -0.49 1.00 0.00 -0.36 0.00 0.00 175.35 175.53 3imt s ALA 36 N 2.04 3.30 0.57 3.13 0.00 0.42 -4.71 121.76 126.51 3imt s ALA 36 Ca 0.61 -1.20 0.26 0.00 0.00 0.00 0.00 51.96 51.64 3imt s ALA 36 Cb -0.30 -2.40 1.65 0.00 0.00 0.00 0.00 23.12 22.07 3imt s ALA 36 CO 0.26 -1.36 2.20 0.00 0.00 0.00 0.00 175.76 176.86 3imt h ALA 37 N -0.58 1.72 -0.63 0.00 0.00 -1.94 0.17 119.26 118.00 3imt h ALA 37 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3imt h ALA 37 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3imt h ALA 37 CO 0.52 -0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 3imt n ASP 38 N -4.03 3.59 0.00 0.00 5.68 -1.26 -4.92 116.55 115.62 3imt n ASP 38 Ca -0.02 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 3imt n ASP 38 Cb 0.14 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 3imt n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3imt n ASP 39 N 1.30 -1.51 -4.91 -1.12 8.00 0.05 -5.03 116.55 113.33 3imt n ASP 39 Ca 0.22 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.45 3imt n ASP 39 Cb 0.59 -0.52 0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3imt n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3imt s THR 40 N -2.87 3.80 -0.50 -3.53 -4.23 -1.26 -4.76 115.64 102.29 3imt s THR 40 Ca 0.00 0.09 -0.19 0.00 -1.18 0.00 0.00 61.69 60.41 3imt s THR 40 Cb 0.00 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 70.39 3imt s THR 40 CO 0.00 -0.54 0.63 0.26 -0.54 0.00 0.00 174.62 174.43 3imt s TRP 41 N -3.00 3.04 -0.02 3.99 0.52 -1.26 -0.43 118.94 121.78 3imt s TRP 41 Ca 0.54 -0.51 -0.25 0.00 0.02 0.00 0.00 56.10 55.90 3imt s TRP 41 Cb -0.11 -3.54 -0.04 0.00 -1.15 0.00 0.00 33.47 28.63 3imt s TRP 41 CO 0.46 -1.03 0.75 -1.21 0.02 0.00 0.00 176.95 175.93 3imt s GLU 42 N 2.66 4.46 0.24 4.98 2.02 -0.25 -4.83 118.70 127.99 3imt s GLU 42 Ca 0.16 1.00 -0.31 0.00 0.02 0.00 0.00 54.97 55.83 3imt s GLU 42 Cb -0.19 -3.41 -0.13 0.00 0.10 0.00 0.00 34.13 30.50 3imt s GLU 42 CO 0.12 0.14 1.51 -2.30 0.02 0.00 0.00 175.26 174.75 3imt n PRO 43 N 3.41 2.30 -0.04 0.39 -0.02 -1.26 -0.68 135.00 139.10 3imt n PRO 43 Ca -0.01 0.82 -0.08 0.00 -2.02 0.00 0.00 63.50 62.21 3imt n PRO 43 Cb 0.51 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 3imt n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3imt n PHE 44 N 2.29 0.00 -3.52 6.00 7.35 -0.06 -4.78 117.46 124.75 3imt n PHE 44 Ca 0.12 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.72 3imt n PHE 44 Cb 0.33 -0.27 -0.02 0.00 0.35 0.00 0.00 39.48 39.87 3imt n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3imt s ALA 45 N -2.14 -1.85 0.18 3.13 0.00 -1.02 -5.02 121.76 115.04 3imt s ALA 45 Ca -0.10 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 3imt s ALA 45 Cb 0.04 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.48 3imt s ALA 45 CO 0.14 -0.66 0.45 -1.54 0.00 0.00 0.00 175.76 174.15 3imt s SER 46 N -2.37 -0.19 0.00 0.00 1.04 -1.26 0.26 113.70 111.17 3imt s SER 46 Ca 0.05 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3imt s SER 46 Cb -0.01 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3imt s SER 46 CO -0.08 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.76 3imt n GLY 47 N -0.30 0.56 3.07 7.32 0.00 -0.39 -4.93 105.19 110.52 3imt n GLY 47 Ca -0.10 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 3imt n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3imt s LYS 48 N -1.61 0.54 0.51 1.61 -2.85 -1.26 -0.81 119.74 115.88 3imt s LYS 48 Ca 0.00 -0.75 -0.21 0.00 -1.00 0.00 0.00 55.97 54.01 3imt s LYS 48 Cb 0.00 -0.33 -0.06 0.00 -2.06 0.00 0.00 37.83 35.38 3imt s LYS 48 CO 0.00 0.06 1.15 0.95 0.10 0.00 0.00 175.35 177.61 3imt s THR 49 N -1.34 3.11 0.03 3.79 -4.23 -0.32 -4.68 115.64 111.99 3imt s THR 49 Ca -0.09 0.74 -0.00 0.00 -1.18 0.00 0.00 61.69 61.16 3imt s THR 49 Cb -0.10 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.42 3imt s THR 49 CO 0.00 -0.10 0.04 -1.54 -0.54 0.00 0.00 174.62 172.49 3imt n SER 50 N -0.99 0.02 0.26 3.99 3.41 -0.04 -1.35 113.62 118.91 3imt n SER 50 Ca 0.10 -1.02 0.18 0.00 -0.26 0.00 0.00 58.87 57.86 3imt n SER 50 Cb 0.50 -0.03 0.81 0.00 -0.26 0.00 0.00 64.21 65.23 3imt n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3imt h GLU 51 N 0.00 0.00 -0.01 4.33 4.39 -1.94 -0.82 114.58 120.53 3imt h GLU 51 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3imt h GLU 51 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3imt h GLU 51 CO 0.01 0.00 -0.16 -1.13 -1.16 0.00 0.00 179.01 176.57 3imt n SER 52 N -2.86 1.20 0.00 1.42 3.41 -1.26 -4.80 113.62 110.73 3imt n SER 52 Ca -0.00 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3imt n SER 52 Cb 0.19 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3imt n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3imt n GLY 53 N 1.28 0.75 3.87 5.00 0.00 -0.31 -4.77 105.19 111.01 3imt n GLY 53 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3imt n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3imt s GLU 54 N -0.06 3.34 -0.25 1.61 2.02 -1.26 -0.95 118.70 123.15 3imt s GLU 54 Ca 0.00 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 54.63 3imt s GLU 54 Cb 0.00 -3.03 0.07 0.00 0.10 0.00 0.00 34.13 31.26 3imt s GLU 54 CO 0.00 0.66 -0.04 -1.17 0.02 0.00 0.00 175.26 174.74 3imt s LEU 55 N -1.92 2.73 0.22 1.80 2.96 0.67 -0.87 118.68 124.27 3imt s LEU 55 Ca 0.26 -1.28 0.06 0.00 -0.22 0.00 0.00 54.13 52.95 3imt s LEU 55 Cb -0.12 -1.20 -0.04 0.00 0.50 0.00 0.00 46.19 45.33 3imt s LEU 55 CO 0.18 -0.26 0.17 -1.00 -1.32 0.00 0.00 176.35 174.12 3imt s HIS 56 N 1.37 3.12 -0.18 5.38 3.76 -1.26 -2.16 115.29 125.32 3imt s HIS 56 Ca -0.04 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.80 3imt s HIS 56 Cb -0.19 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.06 3imt s HIS 56 CO -0.07 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.75 3imt n GLY 57 N -0.83 0.52 0.28 -2.22 0.00 -1.26 -4.93 105.19 96.75 3imt n GLY 57 Ca -0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 3imt n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3imt h LEU 58 N 0.00 0.81 0.00 0.99 3.38 -1.86 -3.47 115.31 115.16 3imt h LEU 58 Ca -0.03 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 3imt h LEU 58 Cb 0.12 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3imt h LEU 58 CO 0.05 0.59 -0.09 1.07 0.09 0.00 0.00 178.44 180.14 3imt n THR 59 N -4.59 0.00 -4.30 0.22 5.66 -1.26 -4.76 114.28 105.24 3imt n THR 59 Ca 0.07 -1.01 -0.17 0.00 -3.05 0.00 0.00 64.05 59.89 3imt n THR 59 Cb 0.03 0.61 -0.10 0.00 -1.55 0.00 0.00 70.33 69.32 3imt n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3imt s THR 60 N -2.65 1.48 0.28 1.09 -4.23 -1.26 -4.64 115.64 105.70 3imt s THR 60 Ca 0.17 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.54 3imt s THR 60 Cb -0.00 -1.96 0.26 0.00 1.34 0.00 0.00 72.50 72.14 3imt s THR 60 CO 0.12 -0.66 1.75 -0.33 -0.54 0.00 0.00 174.62 174.95 3imt h GLU 61 N 2.66 0.56 -0.16 3.99 5.08 -2.00 -0.90 114.58 123.81 3imt h GLU 61 Ca -0.37 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 3imt h GLU 61 Cb 1.21 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3imt h GLU 61 CO 0.63 0.37 0.06 0.93 -1.00 0.00 0.00 179.01 180.00 3imt h GLU 62 N 0.58 0.25 0.00 2.33 5.08 -2.04 -3.19 114.58 117.59 3imt h GLU 62 Ca 0.51 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.74 3imt h GLU 62 Cb 0.81 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3imt h GLU 62 CO -0.41 0.35 -0.40 0.93 -1.00 0.00 0.00 179.01 178.47 3imt h GLU 63 N 0.09 0.00 -4.08 2.33 5.08 -1.90 -3.39 114.58 112.72 3imt h GLU 63 Ca 0.05 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.67 3imt h GLU 63 Cb 0.20 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.32 3imt h GLU 63 CO -0.00 0.35 2.09 0.34 -1.00 0.00 0.00 179.01 180.78 3imt n PHE 64 N -3.17 3.66 -1.98 4.33 7.35 -0.37 -4.95 117.46 122.33 3imt n PHE 64 Ca 0.02 -2.96 -0.29 0.00 -0.76 0.00 0.00 57.45 53.47 3imt n PHE 64 Cb 0.68 -2.17 0.15 0.00 0.35 0.00 0.00 39.48 38.49 3imt n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3imt s VAL 65 N 1.48 2.03 0.57 -2.13 -7.23 -1.26 -4.95 120.40 108.91 3imt s VAL 65 Ca 0.43 -0.05 -0.20 0.00 -1.81 0.00 0.00 61.98 60.35 3imt s VAL 65 Cb 0.07 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 3imt s VAL 65 CO -0.01 0.00 1.11 1.21 -0.31 0.00 0.00 175.10 177.11 3imt n GLU 66 N -3.53 1.18 0.00 4.82 0.00 -1.26 -4.77 120.64 117.08 3imt n GLU 66 Ca 0.13 0.45 0.00 0.00 0.00 0.00 0.00 57.16 57.73 3imt n GLU 66 Cb 0.60 -2.31 0.00 0.00 0.00 0.00 0.00 31.44 29.73 3imt n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3imt n GLY 67 N 1.09 -0.58 3.61 8.31 0.00 -1.05 -5.00 105.19 111.57 3imt n GLY 67 Ca 0.13 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 3imt n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imt s ILE 68 N -2.00 5.32 0.00 -0.61 1.01 -1.26 -1.03 121.20 122.64 3imt s ILE 68 Ca 0.00 0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.87 3imt s ILE 68 Cb 0.00 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3imt s ILE 68 CO 0.00 0.28 -0.14 -0.31 0.00 0.00 0.00 174.94 174.77 3imt s TYR 69 N 1.56 2.68 -0.17 3.97 1.51 -0.01 -0.66 117.35 126.23 3imt s TYR 69 Ca 0.07 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 3imt s TYR 69 Cb -0.15 -1.55 0.02 0.00 -0.11 0.00 0.00 41.96 40.16 3imt s TYR 69 CO 0.09 0.26 -0.20 0.21 -1.11 0.00 0.00 175.55 174.80 3imt s LYS 70 N -1.21 3.02 -0.36 -0.62 2.20 0.08 -1.13 119.74 121.72 3imt s LYS 70 Ca 0.14 -0.83 -0.12 0.00 -0.36 0.00 0.00 55.97 54.81 3imt s LYS 70 Cb -0.11 -2.56 0.01 0.00 -1.51 0.00 0.00 37.83 33.67 3imt s LYS 70 CO 0.04 -0.16 0.21 0.08 -0.36 0.00 0.00 175.35 175.17 3imt s VAL 71 N 1.17 4.80 -0.27 4.02 1.01 0.45 -0.47 120.40 131.11 3imt s VAL 71 Ca 0.02 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 3imt s VAL 71 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3imt s VAL 71 CO -0.10 -0.14 0.09 -0.70 0.00 0.00 0.00 175.10 174.25 3imt s GLU 72 N 1.61 3.54 -0.26 2.72 2.12 0.71 -0.84 118.70 128.30 3imt s GLU 72 Ca 0.04 -0.56 -0.09 0.00 0.36 0.00 0.00 54.97 54.71 3imt s GLU 72 Cb -0.18 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 3imt s GLU 72 CO 0.08 -0.26 0.12 0.42 -0.54 0.00 0.00 175.26 175.08 3imt s ILE 73 N 1.60 4.76 -1.35 -3.70 1.01 0.70 -0.67 121.20 123.55 3imt s ILE 73 Ca 0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.54 3imt s ILE 73 Cb -0.16 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 3imt s ILE 73 CO 0.04 0.31 2.28 -0.67 0.00 0.00 0.00 174.94 176.90 3imt n ASP 74 N 4.90 4.41 -0.01 3.58 2.03 -0.02 -1.24 116.55 130.20 3imt n ASP 74 Ca -0.15 -2.75 -0.05 0.00 0.52 0.00 0.00 54.79 52.36 3imt n ASP 74 Cb 0.52 -1.53 0.16 0.00 -0.72 0.00 0.00 41.12 39.55 3imt n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3imt h THR 75 N 3.91 1.27 -0.42 5.18 1.35 -1.86 -2.80 112.91 119.54 3imt h THR 75 Ca 0.59 -1.31 -0.03 0.00 -0.55 0.00 0.00 66.41 65.10 3imt h THR 75 Cb 0.57 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 3imt h THR 75 CO 1.87 0.42 0.13 0.50 -0.25 0.00 0.00 175.52 178.20 3imt h LYS 76 N 0.50 0.65 -0.74 4.72 3.64 -1.67 -1.30 116.57 122.36 3imt h LYS 76 Ca 0.07 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3imt h LYS 76 Cb 0.71 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 3imt h LYS 76 CO 0.05 0.64 0.35 0.77 -2.27 0.00 0.00 179.45 178.99 3imt h SER 77 N 0.53 0.95 0.32 4.20 0.02 -1.81 -0.07 113.55 117.70 3imt h SER 77 Ca 0.13 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3imt h SER 77 Cb 0.26 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3imt h SER 77 CO -0.00 0.80 -0.24 0.22 -1.14 0.00 0.00 176.83 176.47 3imt h TYR 78 N 1.04 -0.64 -0.49 3.45 3.20 -1.18 -1.42 116.97 120.93 3imt h TYR 78 Ca 0.25 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 3imt h TYR 78 Cb 0.11 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3imt h TYR 78 CO 0.01 -0.37 0.11 -1.49 -1.64 0.00 0.00 178.16 174.78 3imt h TRP 79 N -0.56 0.84 -0.62 -3.82 4.06 -0.96 -2.80 115.95 112.08 3imt h TRP 79 Ca -0.02 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.79 3imt h TRP 79 Cb 0.49 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 3imt h TRP 79 CO -0.13 0.76 0.26 0.87 -3.56 0.00 0.00 178.44 176.64 3imt h LYS 80 N 0.68 0.90 0.00 0.49 1.57 -0.83 -0.78 116.57 118.60 3imt h LYS 80 Ca 0.15 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3imt h LYS 80 Cb 0.35 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3imt h LYS 80 CO 0.00 0.72 -0.06 0.00 -0.57 0.00 0.00 179.45 179.55 3imt h ALA 81 N 1.40 1.54 -0.11 3.86 0.00 -1.00 -0.99 119.26 123.96 3imt h ALA 81 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3imt h ALA 81 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3imt h ALA 81 CO -0.02 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.59 3imt n LEU 82 N -3.94 1.82 0.00 0.00 4.77 -0.56 -4.93 117.00 114.15 3imt n LEU 82 Ca -0.03 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 3imt n LEU 82 Cb 0.15 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3imt n LEU 82 CO 0.30 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3imt n GLY 83 N 1.19 0.44 3.44 -0.72 0.00 -0.38 -5.05 105.19 104.11 3imt n GLY 83 Ca 0.17 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3imt n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3imt s ILE 84 N -2.00 2.90 -0.54 -0.61 -1.09 -0.41 -4.99 121.20 114.47 3imt s ILE 84 Ca 0.00 -0.78 -0.20 0.00 -2.23 0.00 0.00 60.65 57.44 3imt s ILE 84 Cb 0.00 -2.13 0.06 0.00 -1.58 0.00 0.00 42.46 38.81 3imt s ILE 84 CO 0.00 0.58 0.73 -0.55 -1.23 0.00 0.00 174.94 174.48 3imt s SER 85 N -0.61 6.24 0.60 3.58 0.15 -1.26 -2.78 113.70 119.62 3imt s SER 85 Ca 0.09 -0.86 0.02 0.00 0.70 0.00 0.00 55.95 55.90 3imt s SER 85 Cb -0.11 -2.33 0.06 0.00 -1.71 0.00 0.00 66.02 61.93 3imt s SER 85 CO 0.01 -1.04 0.83 -2.16 1.20 0.00 0.00 173.24 172.08 3imt s PRO 86 N 3.05 2.28 -0.13 5.44 0.04 -1.26 -5.00 135.00 139.42 3imt s PRO 86 Ca 0.19 -0.97 -0.27 0.00 0.04 0.00 0.00 61.00 59.98 3imt s PRO 86 Cb -0.18 -2.47 -0.26 0.00 0.04 0.00 0.00 34.50 31.63 3imt s PRO 86 CO 0.13 -0.92 0.73 0.35 0.04 0.00 0.00 177.00 177.33 3imt h PHE 87 N -0.07 0.09 -3.66 0.56 3.57 -1.44 -3.47 116.94 112.52 3imt h PHE 87 Ca -0.39 -0.07 -0.50 0.00 3.53 0.00 0.00 57.97 60.54 3imt h PHE 87 Cb 1.29 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 3imt h PHE 87 CO 0.21 1.11 0.07 -1.01 -2.23 0.00 0.00 178.31 176.45 3imt s HIS 88 N -2.27 3.41 0.05 0.41 3.76 -1.26 -4.99 115.29 114.40 3imt s HIS 88 Ca -0.19 1.09 -0.16 0.00 -0.15 0.00 0.00 55.06 55.66 3imt s HIS 88 Cb -0.01 -2.45 -0.24 0.00 1.11 0.00 0.00 32.58 30.98 3imt s HIS 88 CO 0.70 0.06 1.15 0.93 -0.85 0.00 0.00 174.74 176.73 3imt h GLU 89 N 1.95 0.63 -2.72 1.40 4.39 -1.97 -3.36 114.58 114.90 3imt h GLU 89 Ca -0.47 -0.70 0.10 0.00 0.34 0.00 0.00 59.36 58.63 3imt h GLU 89 Cb 1.18 0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.98 3imt h GLU 89 CO 0.65 1.29 0.36 -3.38 -1.16 0.00 0.00 179.01 176.77 3imt s HIS 90 N -3.24 -0.09 -0.12 4.33 -3.43 -1.26 -2.81 115.29 108.66 3imt s HIS 90 Ca -0.11 -0.34 0.02 0.00 -0.80 0.00 0.00 55.06 53.83 3imt s HIS 90 Cb 0.06 0.70 -0.00 0.00 -1.43 0.00 0.00 32.58 31.91 3imt s HIS 90 CO 0.90 -1.11 -0.19 0.00 -2.00 0.00 0.00 174.74 172.33 3imt s ALA 91 N -3.27 2.36 0.03 -1.38 0.00 -0.37 -4.86 121.76 114.26 3imt s ALA 91 Ca 0.13 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.16 3imt s ALA 91 Cb -0.04 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 3imt s ALA 91 CO 0.06 0.17 -0.10 -1.21 0.00 0.00 0.00 175.76 174.68 3imt s GLU 92 N 0.51 2.36 -0.09 0.00 2.02 -1.26 -0.22 118.70 122.01 3imt s GLU 92 Ca -0.13 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.01 3imt s GLU 92 Cb -0.17 -2.39 0.03 0.00 0.10 0.00 0.00 34.13 31.71 3imt s GLU 92 CO 0.05 0.57 0.00 0.08 0.02 0.00 0.00 175.26 175.98 3imt s VAL 93 N -1.02 0.42 -0.14 2.63 1.01 -0.02 -4.98 120.40 118.29 3imt s VAL 93 Ca 0.17 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3imt s VAL 93 Cb -0.11 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.65 3imt s VAL 93 CO 0.08 0.19 -0.19 -0.69 0.00 0.00 0.00 175.10 174.49 3imt s VAL 94 N 1.94 1.86 0.02 2.92 1.01 -1.26 -0.41 120.40 126.48 3imt s VAL 94 Ca 0.04 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 3imt s VAL 94 Cb -0.13 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.62 3imt s VAL 94 CO -0.06 0.51 0.50 0.72 0.00 0.00 0.00 175.10 176.77 3imt s PHE 95 N 1.04 -0.41 0.09 5.22 -0.71 -0.28 -4.99 117.98 117.95 3imt s PHE 95 Ca -0.03 0.53 -0.28 0.00 -1.04 0.00 0.00 56.93 56.11 3imt s PHE 95 Cb -0.14 0.29 -0.06 0.00 -1.21 0.00 0.00 43.02 41.90 3imt s PHE 95 CO -0.05 -0.58 0.89 0.99 -1.34 0.00 0.00 175.22 175.12 3imt s THR 96 N -2.01 4.57 0.04 -4.49 2.01 -1.26 -0.83 115.64 113.67 3imt s THR 96 Ca -0.08 1.91 0.08 0.00 0.31 0.00 0.00 61.69 63.91 3imt s THR 96 Cb -0.01 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 3imt s THR 96 CO 0.02 0.34 -0.24 0.00 -0.69 0.00 0.00 174.62 174.04 3imt s ALA 97 N -0.07 2.07 -1.68 7.40 0.00 -0.20 -4.83 121.76 124.45 3imt s ALA 97 Ca 0.44 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3imt s ALA 97 Cb -0.22 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.46 3imt s ALA 97 CO 0.27 0.49 0.00 0.09 0.00 0.00 0.00 175.76 176.61 3imt n ASN 98 N 1.86 -5.40 -0.04 0.00 3.02 -1.26 -2.53 115.26 110.92 3imt n ASN 98 Ca -0.17 0.08 0.13 0.00 -0.03 0.00 0.00 54.58 54.59 3imt n ASN 98 Cb 0.52 -4.47 0.47 0.00 -0.61 0.00 0.00 39.78 35.70 3imt n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3imt n ASP 99 N -1.48 0.35 -1.03 6.41 5.75 -1.26 -2.57 116.55 122.72 3imt n ASP 99 Ca -0.22 -0.12 -0.02 0.00 -0.01 0.00 0.00 54.79 54.43 3imt n ASP 99 Cb 0.66 -0.09 0.15 0.00 -1.03 0.00 0.00 41.12 40.81 3imt n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3imt n SER 100 N -1.32 2.50 0.00 -1.12 7.64 -1.26 -5.08 113.62 114.98 3imt n SER 100 Ca 0.09 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.20 3imt n SER 100 Cb 0.32 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3imt n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3imt n GLY 101 N -0.95 1.32 3.74 0.23 0.00 -1.06 -4.99 105.19 103.48 3imt n GLY 101 Ca 0.25 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3imt n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3imt s PRO 102 N -1.71 4.17 0.26 1.61 0.02 -1.26 -4.25 135.00 133.82 3imt s PRO 102 Ca 0.00 2.50 0.04 0.00 0.02 0.00 0.00 61.00 63.55 3imt s PRO 102 Cb 0.00 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.40 3imt s PRO 102 CO 0.00 -0.61 0.00 1.03 -0.33 0.00 0.00 177.00 177.10 3imt s ARG 103 N 0.06 1.43 -0.17 5.54 1.81 -1.26 -4.61 118.95 121.75 3imt s ARG 103 Ca 0.65 -1.74 -0.05 0.00 -1.72 0.00 0.00 55.73 52.88 3imt s ARG 103 Cb -0.46 -0.73 -0.03 0.00 -0.45 0.00 0.00 34.95 33.28 3imt s ARG 103 CO 0.42 -0.10 -0.01 1.03 -0.68 0.00 0.00 175.30 175.96 3imt s ARG 104 N -3.85 3.70 -0.13 3.54 0.52 -0.11 -4.84 118.95 117.77 3imt s ARG 104 Ca 0.30 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 55.03 3imt s ARG 104 Cb 0.06 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 3imt s ARG 104 CO 0.11 0.17 -0.17 0.71 0.02 0.00 0.00 175.30 176.14 3imt s TYR 105 N 0.58 2.74 -0.18 -0.53 1.51 0.04 -1.04 117.35 120.47 3imt s TYR 105 Ca -0.01 -0.92 -0.04 0.00 -1.01 0.00 0.00 57.07 55.09 3imt s TYR 105 Cb -0.14 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.85 3imt s TYR 105 CO 0.02 -0.38 -0.04 0.99 -1.11 0.00 0.00 175.55 175.03 3imt s THR 106 N 0.57 3.68 -0.31 -0.71 2.01 0.20 -1.03 115.64 120.06 3imt s THR 106 Ca -0.10 -0.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 3imt s THR 106 Cb -0.16 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.73 3imt s THR 106 CO 0.04 0.47 0.10 -0.63 -0.69 0.00 0.00 174.62 173.90 3imt s ILE 107 N 0.76 4.01 -0.04 1.82 -1.09 0.02 -0.81 121.20 125.88 3imt s ILE 107 Ca -0.02 -0.76 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 3imt s ILE 107 Cb -0.15 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 3imt s ILE 107 CO 0.02 0.02 -0.05 0.00 -1.23 0.00 0.00 174.94 173.70 3imt s ALA 108 N 1.49 3.08 0.01 9.38 0.00 -0.33 -0.99 121.76 134.40 3imt s ALA 108 Ca 0.02 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3imt s ALA 108 Cb -0.18 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 3imt s ALA 108 CO 0.03 0.60 -0.05 0.00 0.00 0.00 0.00 175.76 176.34 3imt s ALA 109 N -0.92 0.43 -0.15 0.00 0.00 0.10 -1.13 121.76 120.10 3imt s ALA 109 Ca 0.15 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.81 3imt s ALA 109 Cb -0.11 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.95 3imt s ALA 109 CO 0.05 0.07 -0.18 -1.17 0.00 0.00 0.00 175.76 174.53 3imt s LEU 110 N -0.40 1.92 -0.10 0.00 2.96 0.10 -0.90 118.68 122.25 3imt s LEU 110 Ca -0.01 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3imt s LEU 110 Cb -0.03 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 3imt s LEU 110 CO -0.00 0.01 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.18 3imt s LEU 111 N 1.15 2.98 0.27 -0.68 1.43 -0.13 -1.47 118.68 122.23 3imt s LEU 111 Ca -0.01 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3imt s LEU 111 Cb -0.14 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 3imt s LEU 111 CO -0.07 0.27 0.00 -0.44 0.23 0.00 0.00 176.35 176.34 3imt s SER 112 N -0.28 2.16 0.35 2.29 0.01 -0.11 -0.88 113.70 117.24 3imt s SER 112 Ca 0.03 -1.25 0.03 0.00 1.31 0.00 0.00 55.95 56.07 3imt s SER 112 Cb -0.13 -0.05 0.65 0.00 0.21 0.00 0.00 66.02 66.70 3imt s SER 112 CO 0.03 -0.50 1.98 -0.65 0.41 0.00 0.00 173.24 174.51 3imt h PRO 113 N 2.34 0.73 -0.24 12.44 0.11 -1.99 -2.94 132.00 142.44 3imt h PRO 113 Ca -0.39 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3imt h PRO 113 Cb 1.23 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3imt h PRO 113 CO 0.66 0.53 0.00 0.66 -0.21 0.00 0.00 178.00 179.65 3imt n TYR 114 N -4.41 0.57 -3.53 0.65 4.02 -1.26 -1.04 117.16 112.15 3imt n TYR 114 Ca 0.05 -0.70 -0.15 0.00 -0.01 0.00 0.00 57.90 57.08 3imt n TYR 114 Cb 0.09 -0.16 -0.05 0.00 -0.02 0.00 0.00 39.34 39.20 3imt n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3imt s SER 115 N -1.57 -0.54 0.12 7.72 0.15 -1.11 -4.96 113.70 113.51 3imt s SER 115 Ca 0.29 0.35 -0.13 0.00 0.70 0.00 0.00 55.95 57.16 3imt s SER 115 Cb 0.21 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 65.06 3imt s SER 115 CO 0.10 -0.71 0.32 -0.72 1.20 0.00 0.00 173.24 173.43 3imt s TYR 116 N -2.15 -0.01 0.05 3.44 -0.85 -1.26 -0.94 117.35 115.63 3imt s TYR 116 Ca -0.07 -0.36 0.02 0.00 -0.52 0.00 0.00 57.07 56.14 3imt s TYR 116 Cb -0.01 0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.43 3imt s TYR 116 CO 0.01 -0.66 -0.07 -1.54 -1.52 0.00 0.00 175.55 171.77 3imt s SER 117 N -2.85 0.82 0.01 -0.18 1.04 -0.54 -4.99 113.70 107.03 3imt s SER 117 Ca 0.06 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.87 3imt s SER 117 Cb 0.03 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 3imt s SER 117 CO -0.10 -0.26 -0.02 0.28 0.98 0.00 0.00 173.24 174.12 3imt s THR 118 N -1.75 0.08 0.05 2.02 -1.32 -1.26 -0.72 115.64 112.74 3imt s THR 118 Ca -0.07 -0.63 -0.01 0.00 -1.21 0.00 0.00 61.69 59.77 3imt s THR 118 Cb -0.08 -0.19 -0.03 0.00 -1.51 0.00 0.00 72.50 70.70 3imt s THR 118 CO -0.01 -0.34 -0.01 0.28 -2.21 0.00 0.00 174.62 172.33 3imt s THR 119 N -1.00 0.20 -0.07 5.08 -1.32 -0.28 -5.00 115.64 113.24 3imt s THR 119 Ca -0.11 -1.62 0.03 0.00 -1.21 0.00 0.00 61.69 58.78 3imt s THR 119 Cb -0.07 -1.31 -0.02 0.00 -1.51 0.00 0.00 72.50 69.60 3imt s THR 119 CO -0.01 -0.89 -0.16 0.00 -2.21 0.00 0.00 174.62 171.35 3imt s ALA 120 N -3.51 2.54 -0.24 11.08 0.00 -1.26 -1.19 121.76 129.18 3imt s ALA 120 Ca 0.03 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 3imt s ALA 120 Cb 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.23 3imt s ALA 120 CO -0.09 0.45 -0.07 0.08 0.00 0.00 0.00 175.76 176.14 3imt s VAL 121 N -0.35 2.86 -0.16 0.00 1.01 0.01 -4.98 120.40 118.79 3imt s VAL 121 Ca 0.03 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3imt s VAL 121 Cb -0.12 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3imt s VAL 121 CO 0.02 0.22 -0.21 -0.69 0.00 0.00 0.00 175.10 174.44 3imt s VAL 122 N 1.33 2.10 0.10 2.92 1.01 -1.26 -0.63 120.40 125.98 3imt s VAL 122 Ca 0.01 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.10 3imt s VAL 122 Cb -0.16 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3imt s VAL 122 CO -0.05 0.54 -0.17 0.42 0.00 0.00 0.00 175.10 175.84 3imt s THR 123 N 1.00 1.48 -0.34 3.92 -4.23 -0.21 -4.97 115.64 112.30 3imt s THR 123 Ca -0.02 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 3imt s THR 123 Cb -0.15 -1.44 0.03 0.00 1.34 0.00 0.00 72.50 72.28 3imt s THR 123 CO -0.06 -0.20 0.12 0.21 -0.54 0.00 0.00 174.62 174.15 3imt s ASN 124 N -2.04 5.38 0.00 3.99 3.84 -1.26 -0.93 114.94 123.92 3imt s ASN 124 Ca 0.05 -1.06 0.15 0.00 0.21 0.00 0.00 52.86 52.22 3imt s ASN 124 Cb -0.09 -1.90 0.91 0.00 -0.55 0.00 0.00 41.25 39.62 3imt s ASN 124 CO 0.04 -0.32 1.32 -0.81 -2.79 0.00 0.00 177.10 174.54