#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yua n ASN 2 N 0.00 1.52 -2.82 6.12 4.13 -1.26 -5.10 115.26 117.85 1yua n ASN 2 Ca 0.00 -2.58 -0.08 0.00 1.68 0.00 0.00 54.58 53.59 1yua n ASN 2 Cb 0.00 -0.52 0.05 0.00 -1.54 0.00 0.00 39.78 37.77 1yua n ASN 2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1yua n GLY 3 N -0.18 0.32 3.82 7.41 0.00 -1.26 -5.06 105.19 110.24 1yua n GLY 3 Ca 0.09 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 1yua n GLY 3 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yua s GLU 4 N -3.45 4.19 -0.47 1.61 2.56 -1.26 -5.02 118.70 116.86 1yua s GLU 4 Ca 0.23 0.81 0.07 0.00 0.00 0.00 0.00 54.97 56.09 1yua s GLU 4 Cb -0.01 -2.79 0.25 0.00 2.00 0.00 0.00 34.13 33.58 1yua s GLU 4 CO 0.16 0.35 0.59 0.28 -0.56 0.00 0.00 175.26 176.08 1yua n VAL 5 N 0.51 0.30 -2.46 3.70 0.31 -1.26 -4.97 118.33 114.45 1yua n VAL 5 Ca -0.01 -4.40 -0.03 0.00 -0.01 0.00 0.00 64.34 59.89 1yua n VAL 5 Cb 0.51 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1yua n VAL 5 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yua n ALA 6 N 1.24 -3.21 -1.30 3.52 0.00 -1.26 -4.99 120.51 114.50 1yua n ALA 6 Ca 0.24 0.61 -0.29 0.00 0.00 0.00 0.00 53.44 54.00 1yua n ALA 6 Cb 0.49 -1.71 0.15 0.00 0.00 0.00 0.00 19.45 18.38 1yua n ALA 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yua s PRO 7 N -1.67 0.90 0.01 0.00 0.04 -1.26 -4.98 135.00 128.03 1yua s PRO 7 Ca 0.09 0.52 -0.03 0.00 0.04 0.00 0.00 61.00 61.62 1yua s PRO 7 Cb -0.02 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 1yua s PRO 7 CO 0.59 -2.41 1.04 -1.35 0.04 0.00 0.00 177.00 174.90 1yua h PRO 8 N -1.66 -0.05 0.00 0.56 0.11 -2.06 -3.29 132.00 125.60 1yua h PRO 8 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1yua h PRO 8 Cb 1.32 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1yua h PRO 8 CO 0.58 -0.03 0.00 1.63 -0.21 0.00 0.00 178.00 179.97 1yua n LYS 9 N -2.71 0.00 0.00 1.05 4.76 -1.26 -4.56 118.16 115.44 1yua n LYS 9 Ca -0.01 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1yua n LYS 9 Cb 0.03 -0.79 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 1yua n LYS 9 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1yua n GLU 10 N -0.51 0.00 -3.96 1.97 -0.58 -1.24 -4.78 120.64 111.53 1yua n GLU 10 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1yua n GLU 10 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.89 1yua n GLU 10 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1yua n ASP 11 N 3.27 -4.49 0.00 1.62 2.03 -1.26 -4.93 116.55 112.80 1yua n ASP 11 Ca 0.00 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.11 1yua n ASP 11 Cb 0.00 -1.98 0.00 0.00 -0.72 0.00 0.00 41.12 38.42 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1yua n PRO 12 N -4.55 0.00 -3.71 -0.67 -0.04 -1.26 -4.79 135.00 119.98 1yua n PRO 12 Ca -0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.02 1yua n PRO 12 Cb 0.58 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.95 1yua n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1yua n VAL 13 N 0.00 2.29 -2.29 0.52 0.31 -1.19 -5.06 118.33 112.91 1yua n VAL 13 Ca 0.00 -5.04 -0.41 0.00 -0.01 0.00 0.00 64.34 58.88 1yua n VAL 13 Cb 0.00 -2.22 -0.03 0.00 -0.91 0.00 0.00 33.84 30.68 1yua n VAL 13 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1yua s PRO 14 N -1.68 4.46 -0.49 5.55 0.04 -1.26 -0.64 135.00 140.98 1yua s PRO 14 Ca 0.29 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.37 1yua s PRO 14 Cb -0.01 -3.17 0.40 0.00 0.04 0.00 0.00 34.50 31.75 1yua s PRO 14 CO -0.12 -0.10 1.13 1.28 0.04 0.00 0.00 177.00 179.23 1yua n LEU 15 N 1.85 4.82 -0.30 -3.56 4.77 -0.75 -4.81 117.00 119.01 1yua n LEU 15 Ca 0.03 -5.29 0.26 0.00 -0.03 0.00 0.00 56.01 50.98 1yua n LEU 15 Cb 0.43 -0.51 0.49 0.00 -2.33 0.00 0.00 43.42 41.50 1yua n LEU 15 CO 0.57 2.24 0.93 -2.65 -1.33 0.00 0.00 177.39 177.14 1yua n PRO 16 N -0.44 -0.06 -0.29 3.23 -0.02 -1.26 0.17 135.00 136.33 1yua n PRO 16 Ca 0.38 1.29 0.02 0.00 -2.02 0.00 0.00 63.50 63.18 1yua n PRO 16 Cb 0.59 -2.26 0.10 0.00 -0.02 0.00 0.00 33.50 31.90 1yua n PRO 16 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1yua h GLU 17 N 0.00 -0.01 -5.73 -0.52 4.22 -1.95 -3.32 114.58 107.27 1yua h GLU 17 Ca 0.74 0.00 -0.61 0.00 0.08 0.00 0.00 59.36 59.57 1yua h GLU 17 Cb 1.88 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 31.03 1yua h GLU 17 CO -0.74 -0.01 0.36 -1.17 -2.18 0.00 0.00 179.01 175.27 1yua s LEU 18 N -11.05 4.09 0.99 1.64 2.96 0.13 -5.04 118.68 112.40 1yua s LEU 18 Ca -0.15 0.65 -0.12 0.00 -0.22 0.00 0.00 54.13 54.29 1yua s LEU 18 Cb 0.23 -3.04 0.18 0.00 0.50 0.00 0.00 46.19 44.06 1yua s LEU 18 CO 0.75 -0.58 1.10 -2.16 -1.32 0.00 0.00 176.35 174.14 1yua s PRO 19 N 2.89 0.52 0.00 0.98 0.04 -1.25 -1.70 135.00 136.48 1yua s PRO 19 Ca 0.31 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1yua s PRO 19 Cb -0.14 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1yua s PRO 19 CO 0.12 -2.67 0.00 0.00 0.04 0.00 0.00 177.00 174.49 1yua n GLU 21 N -0.56 2.67 -1.36 0.00 2.13 -1.26 -4.89 120.64 117.38 1yua n GLU 21 Ca 0.00 -3.06 -0.14 0.00 0.66 0.00 0.00 57.16 54.62 1yua n GLU 21 Cb 0.00 -2.00 -0.06 0.00 0.27 0.00 0.00 31.44 29.65 1yua n GLU 21 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yua n LYS 22 N -0.73 -1.51 -1.22 5.31 0.00 -1.26 -4.78 118.16 113.96 1yua n LYS 22 Ca 0.38 0.89 -0.23 0.00 0.00 0.00 0.00 58.31 59.34 1yua n LYS 22 Cb 1.22 -5.17 0.15 0.00 0.00 0.00 0.00 35.03 31.23 1yua n LYS 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1yua n SER 23 N -0.81 4.57 0.00 3.14 2.88 -1.26 -4.81 113.62 117.33 1yua n SER 23 Ca -0.14 -3.69 0.00 0.00 -1.33 0.00 0.00 58.87 53.71 1yua n SER 23 Cb 0.53 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1yua n SER 23 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1yua n ASP 24 N -1.07 0.00 -4.85 -3.46 2.03 -1.26 -5.00 116.55 102.94 1yua n ASP 24 Ca 0.56 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.65 1yua n ASP 24 Cb 1.28 -0.10 0.07 0.00 -0.72 0.00 0.00 41.12 41.66 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yua s ALA 25 N -3.77 3.94 0.00 -1.67 0.00 -1.26 -5.02 121.76 113.98 1yua s ALA 25 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1yua s ALA 25 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1yua s ALA 25 CO 0.00 -1.05 0.00 2.48 0.00 0.00 0.00 175.76 177.19 1yua n TYR 26 N -2.52 -0.21 -3.62 0.00 0.18 -1.26 -2.37 117.16 107.36 1yua n TYR 26 Ca 0.12 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.51 1yua n TYR 26 Cb 0.60 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.49 1yua n TYR 26 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1yua s PHE 27 N -3.35 3.50 -0.77 -3.48 0.08 -0.69 -1.45 117.98 111.82 1yua s PHE 27 Ca 0.00 -2.54 -0.27 0.00 0.12 0.00 0.00 56.93 54.24 1yua s PHE 27 Cb 0.00 -3.36 0.03 0.00 -0.57 0.00 0.00 43.02 39.12 1yua s PHE 27 CO 0.00 -0.88 1.30 0.08 -0.10 0.00 0.00 175.22 175.62 1yua s VAL 28 N -0.04 3.74 0.37 -0.44 1.01 -0.66 -1.82 120.40 122.56 1yua s VAL 28 Ca 0.17 0.30 -0.27 0.00 0.00 0.00 0.00 61.98 62.18 1yua s VAL 28 Cb -0.17 -4.93 -0.11 0.00 0.00 0.00 0.00 36.38 31.16 1yua s VAL 28 CO -0.05 -1.86 1.34 -0.11 0.00 0.00 0.00 175.10 174.41 1yua n LEU 29 N 9.35 3.97 0.00 3.92 7.94 0.19 -3.18 117.00 139.19 1yua n LEU 29 Ca 0.06 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 1yua n LEU 29 Cb 0.49 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.92 1yua n LEU 29 CO 0.71 -0.35 0.00 0.54 -1.11 0.00 0.00 177.39 177.17 1yua n ARG 30 N 0.41 0.24 -3.37 1.96 1.74 -0.57 -3.18 116.66 113.88 1yua n ARG 30 Ca 0.04 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.94 1yua n ARG 30 Cb 0.37 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.73 1yua n ARG 30 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1yua s ASP 31 N -0.15 1.41 0.13 0.55 -4.77 -1.26 -2.36 116.67 110.22 1yua s ASP 31 Ca 0.00 -1.69 0.00 0.00 -3.30 0.00 0.00 52.55 47.56 1yua s ASP 31 Cb 0.00 0.42 0.00 0.00 -1.09 0.00 0.00 42.92 42.25 1yua s ASP 31 CO 0.00 -0.26 0.00 0.61 0.70 0.00 0.00 175.17 176.22 1yua n GLY 32 N 4.18 -2.98 1.61 2.12 0.00 -0.97 -4.80 105.19 104.36 1yua n GLY 32 Ca 0.12 -1.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 1yua n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yua n ALA 33 N -2.93 3.86 0.00 4.61 0.00 -1.26 -4.32 120.51 120.46 1yua n ALA 33 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.87 1yua n ALA 33 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1yua n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yua n ALA 34 N 0.11 3.00 -3.82 0.00 0.00 -1.26 -5.15 120.51 113.39 1yua n ALA 34 Ca 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.62 1yua n ALA 34 Cb 1.05 0.11 0.02 0.00 0.00 0.00 0.00 19.45 20.64 1yua n ALA 34 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1yua s GLY 35 N -5.00 0.31 0.60 0.00 0.00 -1.26 -4.80 107.32 97.18 1yua s GLY 35 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 43.97 1yua s GLY 35 CO 0.00 -0.12 0.92 -1.34 0.00 0.00 0.00 173.10 172.57 1yua s VAL 36 N -2.42 3.66 0.01 1.40 -7.23 -1.26 -2.28 120.40 112.28 1yua s VAL 36 Ca 0.15 0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 60.38 1yua s VAL 36 Cb -0.05 -3.47 0.01 0.00 0.56 0.00 0.00 36.38 33.43 1yua s VAL 36 CO 0.11 -0.50 0.10 2.22 -0.31 0.00 0.00 175.10 176.72 1yua n PHE 37 N -2.63 -0.58 -3.76 2.82 -1.74 -0.99 -4.39 117.46 106.19 1yua n PHE 37 Ca 0.05 -0.11 -0.30 0.00 -0.56 0.00 0.00 57.45 56.53 1yua n PHE 37 Cb 0.57 0.05 -0.15 0.00 1.52 0.00 0.00 39.48 41.48 1yua n PHE 37 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1yua s LEU 38 N 0.00 2.50 -0.01 5.98 1.43 -0.10 -1.51 118.68 126.97 1yua s LEU 38 Ca 0.02 -1.77 -0.14 0.00 -1.03 0.00 0.00 54.13 51.21 1yua s LEU 38 Cb -0.00 -0.94 -0.06 0.00 0.03 0.00 0.00 46.19 45.22 1yua s LEU 38 CO 0.00 -0.40 0.40 0.00 0.23 0.00 0.00 176.35 176.58 1yua s ALA 39 N 1.45 3.70 0.36 4.21 0.00 -1.19 -4.03 121.76 126.27 1yua s ALA 39 Ca 0.11 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.55 1yua s ALA 39 Cb -0.18 -2.37 -0.11 0.00 0.00 0.00 0.00 23.12 20.46 1yua s ALA 39 CO -0.22 0.48 1.46 0.00 0.00 0.00 0.00 175.76 177.48 1yua s ALA 40 N -1.05 3.57 -1.45 0.00 0.00 -1.24 -1.65 121.76 119.94 1yua s ALA 40 Ca 0.23 1.51 0.15 0.00 0.00 0.00 0.00 51.96 53.86 1yua s ALA 40 Cb -0.16 -3.59 0.77 0.00 0.00 0.00 0.00 23.12 20.14 1yua s ALA 40 CO 0.13 -0.97 1.42 -1.71 0.00 0.00 0.00 175.76 174.63 1yua n ASN 41 N 0.68 0.00 -0.96 0.00 2.85 -0.53 -1.63 115.26 115.67 1yua n ASN 41 Ca 0.01 0.05 0.12 0.00 -0.11 0.00 0.00 54.58 54.66 1yua n ASN 41 Cb 0.40 -0.28 0.18 0.00 1.24 0.00 0.00 39.78 41.32 1yua n ASN 41 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1yua n THR 42 N -1.28 0.14 -1.25 -0.44 -2.24 -1.26 -4.94 114.28 103.01 1yua n THR 42 Ca 0.07 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 1yua n THR 42 Cb 0.12 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 69.57 1yua n THR 42 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1yua n PHE 43 N 1.25 -1.24 1.46 4.78 -0.00 -0.65 -0.86 117.46 122.19 1yua n PHE 43 Ca 0.16 0.73 0.15 0.00 -0.00 0.00 0.00 57.45 58.49 1yua n PHE 43 Cb 0.57 -1.73 0.76 0.00 -0.00 0.00 0.00 39.48 39.08 1yua n PHE 43 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1yua n PRO 44 N 1.09 0.48 -0.48 -7.13 -0.04 -1.26 -4.82 135.00 122.85 1yua n PRO 44 Ca 0.13 -0.02 0.42 0.00 -0.04 0.00 0.00 63.50 63.99 1yua n PRO 44 Cb 0.30 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 32.96 1yua n PRO 44 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1yua h LYS 45 N 0.05 0.00 -3.18 0.54 3.64 -1.39 -3.07 116.57 113.16 1yua h LYS 45 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1yua h LYS 45 Cb 0.28 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.70 1yua h LYS 45 CO 0.00 0.00 -0.77 -1.12 -2.27 0.00 0.00 179.45 175.29 1yua s SER 46 N -3.93 3.73 -0.32 4.20 0.01 -1.25 -4.98 113.70 111.16 1yua s SER 46 Ca -0.04 -1.81 -0.01 0.00 1.31 0.00 0.00 55.95 55.40 1yua s SER 46 Cb 0.22 -0.73 0.21 0.00 0.21 0.00 0.00 66.02 65.93 1yua s SER 46 CO 0.74 -0.38 2.04 0.54 0.41 0.00 0.00 173.24 176.59 1yua n ARG 47 N 4.60 1.82 -1.75 12.44 1.74 -1.16 -3.71 116.66 130.62 1yua n ARG 47 Ca 0.01 -1.58 -0.40 0.00 -0.77 0.00 0.00 57.85 55.11 1yua n ARG 47 Cb 0.40 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 1yua n ARG 47 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1yua n GLU 48 N 0.38 4.13 -3.25 5.56 1.02 -1.26 -4.95 120.64 122.27 1yua n GLU 48 Ca 0.30 -2.96 -0.31 0.00 -0.02 0.00 0.00 57.16 54.17 1yua n GLU 48 Cb 0.58 -2.74 -0.05 0.00 -0.02 0.00 0.00 31.44 29.21 1yua n GLU 48 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1yua s THR 49 N 0.37 4.88 0.00 2.62 -4.23 -1.26 -4.48 115.64 113.54 1yua s THR 49 Ca 0.59 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1yua s THR 49 Cb 0.17 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.35 1yua s THR 49 CO -0.07 -0.23 0.00 0.54 -0.54 0.00 0.00 174.62 174.32 1yua n ARG 50 N -0.56 0.00 -2.16 3.99 1.74 -1.26 -4.91 116.66 113.51 1yua n ARG 50 Ca 0.01 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 1yua n ARG 50 Cb 0.53 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.98 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yua s ALA 51 N -2.00 2.73 0.03 7.54 0.00 -1.26 -0.93 121.76 127.86 1yua s ALA 51 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 1yua s ALA 51 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1yua s ALA 51 CO 0.00 -0.90 1.12 -1.25 0.00 0.00 0.00 175.76 174.73 1yua s PRO 52 N -3.13 4.47 0.53 0.00 0.04 -1.26 -4.52 135.00 131.13 1yua s PRO 52 Ca 0.72 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 63.19 1yua s PRO 52 Cb -0.28 -3.41 -0.08 0.00 0.04 0.00 0.00 34.50 30.77 1yua s PRO 52 CO 0.32 -0.20 0.84 -0.11 0.04 0.00 0.00 177.00 177.88 1yua n LEU 53 N 4.05 2.41 0.26 -3.56 0.00 -1.26 -2.30 117.00 116.59 1yua n LEU 53 Ca 0.08 0.86 0.10 0.00 0.00 0.00 0.00 56.01 57.04 1yua n LEU 53 Cb 0.48 -1.31 0.67 0.00 0.00 0.00 0.00 43.42 43.26 1yua n LEU 53 CO 0.54 -2.12 1.00 0.58 0.00 0.00 0.00 177.39 177.39 1yua h VAL 54 N 0.74 0.85 0.00 1.96 2.07 -1.74 -1.26 116.25 118.87 1yua h VAL 54 Ca -0.46 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 66.55 1yua h VAL 54 Cb 1.37 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1yua h VAL 54 CO 0.52 0.09 -0.74 1.05 0.02 0.00 0.00 177.57 178.51 1yua h GLU 55 N 0.00 0.00 0.05 1.57 -0.00 -1.86 -1.18 114.58 113.15 1yua h GLU 55 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 59.13 1yua h GLU 55 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.94 1yua h GLU 55 CO 0.01 0.74 -1.03 1.49 -0.00 0.00 0.00 179.01 180.23 1yua h GLU 56 N 0.00 0.21 0.00 1.06 4.22 -1.61 -1.74 114.58 116.72 1yua h GLU 56 Ca -0.01 -0.29 -0.15 0.00 0.08 0.00 0.00 59.36 58.99 1yua h GLU 56 Cb 1.35 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1yua h GLU 56 CO 0.10 1.07 -0.71 1.25 -2.18 0.00 0.00 179.01 178.53 1yua h LEU 57 N 0.09 0.00 0.03 1.64 5.85 -1.21 -1.91 115.31 119.80 1yua h LEU 57 Ca -0.07 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.50 1yua h LEU 57 Cb 1.72 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.76 1yua h LEU 57 CO 0.16 0.71 -0.58 0.22 -0.34 0.00 0.00 178.44 178.61 1yua h TYR 58 N 0.00 0.53 0.00 1.25 3.20 -1.18 -3.10 116.97 117.67 1yua h TYR 58 Ca -0.01 -0.31 -0.03 0.00 3.14 0.00 0.00 58.73 61.52 1yua h TYR 58 Cb 1.34 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.55 1yua h TYR 58 CO 0.00 1.15 -0.16 -0.09 -1.64 0.00 0.00 178.16 177.42 1yua h ARG 59 N -0.23 0.00 -0.83 1.82 2.43 -1.34 -1.44 114.38 114.79 1yua h ARG 59 Ca -0.08 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 1yua h ARG 59 Cb 1.33 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.80 1yua h ARG 59 CO 0.11 0.16 0.18 1.19 -1.51 0.00 0.00 179.97 180.10 1yua n PHE 60 N -3.63 1.72 -0.21 2.20 3.01 -0.72 -4.35 117.46 115.48 1yua n PHE 60 Ca -0.01 -0.87 -0.02 0.00 1.01 0.00 0.00 57.45 57.55 1yua n PHE 60 Cb 0.28 -0.53 0.18 0.00 -0.01 0.00 0.00 39.48 39.41 1yua n PHE 60 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1yua h ARG 61 N 1.93 0.99 0.00 -1.08 9.65 -1.19 0.22 114.38 124.90 1yua h ARG 61 Ca 0.18 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1yua h ARG 61 Cb 1.84 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 30.23 1yua h ARG 61 CO 0.51 0.76 0.00 0.38 2.80 0.00 0.00 179.97 184.43 1yua h ASP 62 N 0.98 0.00 -0.06 -3.80 3.04 -1.83 -1.87 116.42 112.87 1yua h ASP 62 Ca 0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.03 1yua h ASP 62 Cb 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 1yua h ASP 62 CO -0.03 0.00 0.00 0.54 -2.04 0.00 0.00 179.24 177.71 1yua n ARG 63 N -2.86 1.99 -3.37 4.15 1.74 -0.20 -4.96 116.66 113.16 1yua n ARG 63 Ca -0.00 -2.37 -0.43 0.00 -0.77 0.00 0.00 57.85 54.28 1yua n ARG 63 Cb 0.19 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 30.11 1yua n ARG 63 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1yua s LEU 64 N -2.37 5.00 0.00 0.55 0.20 0.60 -4.99 118.68 117.66 1yua s LEU 64 Ca 0.26 -0.80 0.00 0.00 0.69 0.00 0.00 54.13 54.28 1yua s LEU 64 Cb 0.22 -2.30 0.00 0.00 -0.43 0.00 0.00 46.19 43.68 1yua s LEU 64 CO 0.04 -0.55 0.70 -2.65 -0.29 0.00 0.00 176.35 173.60 1yua n PRO 65 N 5.44 0.00 0.00 0.98 -0.02 -1.26 -4.92 135.00 135.22 1yua n PRO 65 Ca -0.09 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1yua n PRO 65 Cb 0.47 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1yua n PRO 65 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1yua n GLU 66 N -1.45 0.00 0.00 -0.52 2.13 -1.26 -4.94 120.64 114.60 1yua n GLU 66 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1yua n GLU 66 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1yua n GLU 66 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1yua n LYS 67 N 0.00 0.00 0.00 5.31 2.85 -1.26 -1.57 118.16 123.49 1yua n LYS 67 Ca 0.00 0.32 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 1yua n LYS 67 Cb 0.00 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1yua n LEU 68 N -1.32 0.51 0.09 -5.58 4.32 -1.26 -4.85 117.00 108.91 1yua n LEU 68 Ca 0.00 -0.51 -0.13 0.00 -0.02 0.00 0.00 56.01 55.36 1yua n LEU 68 Cb 0.02 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.76 1yua n LEU 68 CO 0.00 0.13 0.65 -0.09 -1.22 0.00 0.00 177.39 176.86 1yua h ARG 69 N 0.00 -0.49 -1.32 3.23 9.65 -1.65 0.16 114.38 123.96 1yua h ARG 69 Ca 0.00 0.03 0.38 0.00 -1.10 0.00 0.00 59.98 59.30 1yua h ARG 69 Cb 0.70 0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.33 1yua h ARG 69 CO 0.00 -0.33 0.93 0.10 2.80 0.00 0.00 179.97 183.47 1yua h TYR 70 N -0.51 0.13 -0.05 2.20 -0.00 -1.89 0.74 116.97 117.59 1yua h TYR 70 Ca 0.04 0.01 -0.20 0.00 -0.00 0.00 0.00 58.73 58.58 1yua h TYR 70 Cb 0.57 -0.04 0.01 0.00 -0.00 0.00 0.00 36.73 37.28 1yua h TYR 70 CO -0.31 -0.01 -0.75 -0.07 -0.00 0.00 0.00 178.16 177.01 1yua h LEU 71 N 0.06 0.74 0.00 0.10 3.38 -1.09 -2.81 115.31 115.70 1yua h LEU 71 Ca 0.66 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1yua h LEU 71 Cb 2.46 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.99 1yua h LEU 71 CO -0.08 1.34 0.00 0.00 0.09 0.00 0.00 178.44 179.79 1yua n ALA 72 N -2.60 1.42 -0.03 1.53 0.00 0.24 -1.71 120.51 119.37 1yua n ALA 72 Ca -0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1yua n ALA 72 Cb 0.74 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 1yua n ALA 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yua n ASP 73 N -1.49 0.74 -4.41 0.00 9.92 -0.47 -4.55 116.55 116.28 1yua n ASP 73 Ca 0.02 0.35 -0.33 0.00 -0.53 0.00 0.00 54.79 54.30 1yua n ASP 73 Cb 0.10 0.14 0.13 0.00 -0.64 0.00 0.00 41.12 40.86 1yua n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yua n ALA 74 N -2.56 -2.72 -0.64 2.24 0.00 -0.69 -4.91 120.51 111.22 1yua n ALA 74 Ca -0.18 -0.71 -0.26 0.00 0.00 0.00 0.00 53.44 52.29 1yua n ALA 74 Cb 1.04 -1.79 0.14 0.00 0.00 0.00 0.00 19.45 18.84 1yua n ALA 74 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yua n PRO 75 N -1.95 -1.73 -1.02 0.00 -0.02 -1.26 -4.97 135.00 124.04 1yua n PRO 75 Ca 0.06 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 1yua n PRO 75 Cb 0.55 -1.51 -0.01 0.00 -0.02 0.00 0.00 33.50 32.52 1yua n PRO 75 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1yua n GLN 76 N -1.38 0.00 0.00 -0.52 7.27 -1.26 -4.71 117.38 116.78 1yua n GLN 76 Ca 0.03 -1.30 0.00 0.00 0.07 0.00 0.00 57.00 55.79 1yua n GLN 76 Cb 0.51 -0.03 0.00 0.00 2.41 0.00 0.00 30.24 33.13 1yua n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1yua n GLN 77 N 0.21 0.00 -0.12 3.69 10.64 -1.26 -2.39 117.38 128.15 1yua n GLN 77 Ca -0.03 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.16 1yua n GLN 77 Cb 0.87 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 30.24 1yua n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1yua n ASP 78 N 0.00 -0.73 -0.52 2.61 5.68 -1.26 -3.13 116.55 119.21 1yua n ASP 78 Ca 0.00 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1yua n ASP 78 Cb 0.00 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 1yua n ASP 78 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1yua n PRO 79 N -2.23 0.45 -0.02 0.11 -0.04 -1.26 -3.11 135.00 128.90 1yua n PRO 79 Ca -0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1yua n PRO 79 Cb 0.06 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 1yua n PRO 79 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yua n GLU 80 N 0.29 0.08 0.00 0.54 2.13 -1.26 -5.06 120.64 117.36 1yua n GLU 80 Ca 0.00 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1yua n GLU 80 Cb 0.12 -0.74 0.00 0.00 0.27 0.00 0.00 31.44 31.09 1yua n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yua n GLY 81 N 2.90 4.10 3.51 8.31 0.00 -1.18 -5.06 105.19 117.78 1yua n GLY 81 Ca -0.07 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 1yua n GLY 81 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yua n ASN 82 N 0.00 0.26 -4.39 1.61 0.23 -1.25 -4.65 115.26 107.08 1yua n ASN 82 Ca 0.00 -0.25 -0.43 0.00 -0.53 0.00 0.00 54.58 53.37 1yua n ASN 82 Cb 0.00 -0.98 -0.01 0.00 -2.08 0.00 0.00 39.78 36.71 1yua n ASN 82 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1yua n LYS 83 N 7.82 0.29 -4.15 -3.83 4.01 -1.25 -2.92 118.16 118.13 1yua n LYS 83 Ca 0.61 0.10 -0.29 0.00 -0.51 0.00 0.00 58.31 58.22 1yua n LYS 83 Cb 0.17 -1.24 -0.08 0.00 -0.51 0.00 0.00 35.03 33.38 1yua n LYS 83 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1yua s THR 84 N -1.42 3.90 0.46 -0.18 -1.32 -1.01 -0.73 115.64 115.35 1yua s THR 84 Ca 0.62 -1.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.03 1yua s THR 84 Cb -0.69 -2.89 -0.03 0.00 -1.51 0.00 0.00 72.50 67.39 1yua s THR 84 CO 0.59 0.05 0.19 0.00 -2.21 0.00 0.00 174.62 173.25 1yua s MET 85 N -2.49 2.21 0.31 7.08 0.23 -0.64 -2.42 119.30 123.58 1yua s MET 85 Ca 0.26 -2.01 -0.22 0.00 -1.03 0.00 0.00 55.69 52.69 1yua s MET 85 Cb -0.11 -1.90 -0.09 0.00 -1.53 0.00 0.00 34.83 31.19 1yua s MET 85 CO 0.18 -0.28 0.86 0.08 -2.03 0.00 0.00 175.02 173.83 1yua s VAL 86 N -2.70 4.39 0.14 5.16 1.01 -0.97 -1.60 120.40 125.83 1yua s VAL 86 Ca 0.32 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.85 1yua s VAL 86 Cb 0.02 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1yua s VAL 86 CO 0.18 0.06 0.08 0.54 0.00 0.00 0.00 175.10 175.96 1yua n ARG 87 N 0.34 0.52 -3.80 2.72 5.12 0.21 -4.27 116.66 117.50 1yua n ARG 87 Ca 0.02 -1.25 -0.13 0.00 -1.93 0.00 0.00 57.85 54.56 1yua n ARG 87 Cb 0.51 0.83 -0.12 0.00 -1.16 0.00 0.00 32.46 32.52 1yua n ARG 87 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1yua s PHE 88 N -2.28 -0.21 -0.06 -1.55 5.36 -1.26 -2.16 117.98 115.82 1yua s PHE 88 Ca 0.11 0.51 0.06 0.00 -0.96 0.00 0.00 56.93 56.65 1yua s PHE 88 Cb 0.01 0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 1yua s PHE 88 CO 0.08 -0.12 -0.25 -1.12 -1.46 0.00 0.00 175.22 172.35 1yua s SER 89 N 0.03 3.05 0.15 6.13 0.01 -0.95 -4.88 113.70 117.25 1yua s SER 89 Ca -0.01 -0.51 0.23 0.00 1.31 0.00 0.00 55.95 56.97 1yua s SER 89 Cb -0.02 -0.88 0.20 0.00 0.21 0.00 0.00 66.02 65.53 1yua s SER 89 CO 0.00 0.24 1.21 0.03 0.41 0.00 0.00 173.24 175.13 1yua h ARG 90 N 6.12 0.00 0.00 12.44 -0.00 -1.96 0.76 114.38 131.74 1yua h ARG 90 Ca -0.31 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.17 1yua h ARG 90 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.15 1yua h ARG 90 CO 0.47 0.00 -0.02 0.87 0.00 0.00 0.00 179.97 181.29 1yua h LYS 91 N 0.00 0.00 0.00 0.04 6.56 -1.99 -3.16 116.57 118.02 1yua h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1yua h LYS 91 Cb 0.84 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 1yua h LYS 91 CO 0.00 0.02 -0.06 0.25 -2.06 0.00 0.00 179.45 177.60 1yua n THR 92 N -3.65 0.00 -3.69 -0.16 -2.24 -1.24 -5.04 114.28 98.26 1yua n THR 92 Ca -0.03 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 1yua n THR 92 Cb 0.11 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1yua n THR 92 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1yua n LYS 93 N 0.00 -1.36 -2.73 -0.78 5.02 0.22 -4.97 118.16 113.57 1yua n LYS 93 Ca 0.00 0.80 -0.07 0.00 -2.02 0.00 0.00 58.31 57.02 1yua n LYS 93 Cb 0.52 -3.01 -0.02 0.00 -0.02 0.00 0.00 35.03 32.50 1yua n LYS 93 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1yua n GLN 94 N -2.81 0.21 -4.39 1.97 6.02 -0.96 -4.96 117.38 112.45 1yua n GLN 94 Ca -0.23 -1.22 -0.34 0.00 -0.01 0.00 0.00 57.00 55.20 1yua n GLN 94 Cb 0.64 1.07 -0.14 0.00 1.02 0.00 0.00 30.24 32.83 1yua n GLN 94 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1yua s GLN 95 N -2.44 3.42 -0.06 -1.09 2.00 -1.26 -2.23 119.66 118.00 1yua s GLN 95 Ca 0.14 -0.64 0.03 0.00 -2.00 0.00 0.00 55.36 52.89 1yua s GLN 95 Cb 0.00 -2.81 0.00 0.00 0.80 0.00 0.00 33.01 31.01 1yua s GLN 95 CO 0.10 0.06 -0.15 1.52 -0.50 0.00 0.00 175.29 176.32 1yua s TYR 96 N 0.78 1.61 0.55 1.67 -0.85 -0.92 -1.93 117.35 118.26 1yua s TYR 96 Ca -0.03 -0.53 -0.03 0.00 -0.52 0.00 0.00 57.07 55.95 1yua s TYR 96 Cb -0.15 -1.12 0.01 0.00 0.38 0.00 0.00 41.96 41.08 1yua s TYR 96 CO 0.01 -0.23 0.81 0.14 -1.52 0.00 0.00 175.55 174.77 1yua s VAL 97 N 0.33 3.50 -0.18 -3.49 -7.23 0.11 0.68 120.40 114.12 1yua s VAL 97 Ca -0.09 -0.29 -0.08 0.00 -1.81 0.00 0.00 61.98 59.70 1yua s VAL 97 Cb -0.14 -3.35 0.07 0.00 0.56 0.00 0.00 36.38 33.53 1yua s VAL 97 CO 0.03 -0.31 0.41 -0.55 -0.31 0.00 0.00 175.10 174.38 1yua s SER 98 N -4.31 -0.36 0.74 4.85 0.15 -0.63 0.46 113.70 114.60 1yua s SER 98 Ca 0.53 0.93 -0.13 0.00 0.70 0.00 0.00 55.95 57.98 1yua s SER 98 Cb -0.10 1.05 0.04 0.00 -1.71 0.00 0.00 66.02 65.31 1yua s SER 98 CO 0.42 -0.21 1.14 -0.44 1.20 0.00 0.00 173.24 175.34 1yua s SER 99 N 2.04 4.39 -0.23 5.45 0.01 -0.75 -1.63 113.70 122.98 1yua s SER 99 Ca -0.05 2.10 -0.03 0.00 1.31 0.00 0.00 55.95 59.27 1yua s SER 99 Cb -0.10 -2.56 0.12 0.00 0.21 0.00 0.00 66.02 63.69 1yua s SER 99 CO -0.13 -2.12 0.35 -1.61 0.41 0.00 0.00 173.24 170.14 1yua s GLU 100 N -4.29 0.31 -0.73 12.44 2.02 0.10 -4.31 118.70 124.25 1yua s GLU 100 Ca 0.68 0.51 -0.26 0.00 0.02 0.00 0.00 54.97 55.92 1yua s GLU 100 Cb -0.23 -0.55 -0.07 0.00 0.10 0.00 0.00 34.13 33.39 1yua s GLU 100 CO 0.48 -0.61 2.13 0.15 0.02 0.00 0.00 175.26 177.43 1yua s LYS 101 N 2.51 2.24 1.26 1.61 1.02 -1.25 -3.97 119.74 123.16 1yua s LYS 101 Ca 0.11 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.53 1yua s LYS 101 Cb -0.15 -4.74 0.00 0.00 -0.52 0.00 0.00 37.83 32.42 1yua s LYS 101 CO -0.15 -3.48 0.00 -0.25 -0.92 0.00 0.00 175.35 170.55 1yua n ASP 102 N 15.25 0.00 -3.03 2.83 9.92 -1.26 -1.65 116.55 138.61 1yua n ASP 102 Ca 0.36 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.47 1yua n ASP 102 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1yua n ASP 102 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1yua n GLY 103 N 0.00 2.75 0.27 0.44 0.00 -1.26 -4.86 105.19 102.52 1yua n GLY 103 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1yua n GLY 103 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yua n LYS 104 N 0.22 0.00 -0.46 1.61 2.85 -0.66 -5.14 118.16 116.59 1yua n LYS 104 Ca 0.19 -0.43 0.06 0.00 -1.05 0.00 0.00 58.31 57.08 1yua n LYS 104 Cb 0.69 -0.28 -0.02 0.00 -0.65 0.00 0.00 35.03 34.78 1yua n LYS 104 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1yua n ALA 105 N 0.00 -1.95 0.00 0.58 0.00 -1.26 -4.79 120.51 113.09 1yua n ALA 105 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1yua n ALA 105 Cb 0.56 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1yua n ALA 105 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yua n THR 106 N -1.80 0.00 0.00 0.00 -2.24 -1.26 -3.86 114.28 105.12 1yua n THR 106 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1yua n THR 106 Cb 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1yua n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yua n GLY 107 N -1.33 3.08 3.52 3.38 0.00 -1.26 -4.98 105.19 107.60 1yua n GLY 107 Ca 0.00 -0.51 -0.54 0.00 0.00 0.00 0.00 46.02 44.98 1yua n GLY 107 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1yua n TRP 108 N 0.00 0.82 -3.22 1.61 -0.00 -1.26 -3.81 117.44 111.57 1yua n TRP 108 Ca 0.00 0.87 -0.02 0.00 -0.00 0.00 0.00 57.50 58.35 1yua n TRP 108 Cb 0.00 -2.17 -0.03 0.00 -0.00 0.00 0.00 31.31 29.11 1yua n TRP 108 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1yua s SER 109 N -0.04 -0.74 0.36 5.87 1.04 -1.20 -1.80 113.70 117.18 1yua s SER 109 Ca 0.82 0.07 -0.09 0.00 0.48 0.00 0.00 55.95 57.23 1yua s SER 109 Cb -1.06 1.65 -0.06 0.00 0.10 0.00 0.00 66.02 66.65 1yua s SER 109 CO 0.54 -0.31 0.69 0.00 0.98 0.00 0.00 173.24 175.13 1yua s ALA 110 N 2.71 3.45 0.07 5.32 0.00 0.17 -1.66 121.76 131.82 1yua s ALA 110 Ca 0.11 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 51.83 1yua s ALA 110 Cb -0.12 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 1yua s ALA 110 CO -0.26 0.10 -0.21 -0.06 0.00 0.00 0.00 175.76 175.32 1yua s PHE 111 N -2.25 1.85 -0.52 0.00 0.40 -0.65 0.09 117.98 116.91 1yua s PHE 111 Ca 0.49 -0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 56.22 1yua s PHE 111 Cb -0.10 -1.07 0.05 0.00 0.51 0.00 0.00 43.02 42.40 1yua s PHE 111 CO 0.30 0.14 0.73 -0.47 0.70 0.00 0.00 175.22 176.62 1yua s TYR 112 N -0.93 2.97 0.00 0.36 6.14 -0.81 0.66 117.35 125.74 1yua s TYR 112 Ca 0.08 -0.33 0.00 0.00 0.64 0.00 0.00 57.07 57.45 1yua s TYR 112 Cb -0.09 -3.70 0.00 0.00 0.42 0.00 0.00 41.96 38.59 1yua s TYR 112 CO 0.03 -1.13 0.00 0.28 0.64 0.00 0.00 175.55 175.37 1yua n VAL 113 N 5.82 0.00 -2.00 3.14 0.31 -0.45 -4.73 118.33 120.42 1yua n VAL 113 Ca -0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.04 1yua n VAL 113 Cb 0.46 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.33 1yua n VAL 113 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1yua s ASP 114 N -1.00 4.93 -0.91 4.52 2.15 -1.26 -2.88 116.67 122.21 1yua s ASP 114 Ca 0.00 -1.06 0.00 0.00 0.43 0.00 0.00 52.55 51.92 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1yua s ASP 114 CO 0.00 -3.06 0.00 0.61 -0.17 0.00 0.00 175.17 172.55 1yua n GLY 115 N 6.38 -0.03 2.77 2.66 0.00 -1.26 -4.83 105.19 110.88 1yua n GLY 115 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 1yua n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yua s LYS 116 N -4.31 2.05 1.02 1.61 3.01 -1.14 -5.11 119.74 116.87 1yua s LYS 116 Ca 0.00 -3.01 -0.17 0.00 -1.01 0.00 0.00 55.97 51.78 1yua s LYS 116 Cb 0.00 -2.89 0.01 0.00 -1.01 0.00 0.00 37.83 33.94 1yua s LYS 116 CO 0.00 -1.31 -0.13 0.91 0.51 0.00 0.00 175.35 175.33 1yua n TRP 117 N 2.21 -2.00 -4.02 3.18 7.02 -1.25 -1.34 117.44 121.24 1yua n TRP 117 Ca 0.22 0.21 -0.10 0.00 -1.02 0.00 0.00 57.50 56.81 1yua n TRP 117 Cb 0.38 -1.61 -0.05 0.00 -2.42 0.00 0.00 31.31 27.61 1yua n TRP 117 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 1yua s VAL 118 N -2.24 0.00 -0.21 -0.99 -7.23 0.21 -4.69 120.40 105.26 1yua s VAL 118 Ca 0.52 -1.48 -0.00 0.00 -1.81 0.00 0.00 61.98 59.21 1yua s VAL 118 Cb -0.14 -2.34 0.05 0.00 0.56 0.00 0.00 36.38 34.51 1yua s VAL 118 CO 0.69 0.00 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.83 1yua s GLU 119 N -3.77 1.41 -0.33 4.82 8.01 -1.26 -1.64 118.70 125.94 1yua s GLU 119 Ca 0.25 -0.74 0.00 0.00 0.01 0.00 0.00 54.97 54.49 1yua s GLU 119 Cb -0.00 -2.33 0.08 0.00 -4.31 0.00 0.00 34.13 27.57 1yua s GLU 119 CO 0.12 -0.55 0.05 0.20 0.01 0.00 0.00 175.26 175.09 1yua s GLY 120 N 1.55 1.86 -0.42 -1.39 0.00 -0.66 -4.97 107.32 103.28 1yua s GLY 120 Ca -0.03 -2.20 -0.28 0.00 0.00 0.00 0.00 44.72 42.22 1yua s GLY 120 CO -0.07 0.84 1.06 0.54 0.00 0.00 0.00 173.10 175.47 1yua s LYS 121 N 1.10 3.80 0.00 2.90 1.02 -1.26 -3.27 119.74 124.03 1yua s LYS 121 Ca 0.02 0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.65 1yua s LYS 121 Cb -0.20 -3.85 0.00 0.00 -0.52 0.00 0.00 37.83 33.25 1yua s LYS 121 CO -0.05 -1.18 0.00 1.63 -0.92 0.00 0.00 175.35 174.84