#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yua s ASN 2 N 0.00 6.46 -0.49 6.12 0.02 -1.26 -4.72 114.94 121.07 1yua s ASN 2 Ca 0.00 -1.73 0.05 0.00 -1.02 0.00 0.00 52.86 50.16 1yua s ASN 2 Cb 0.00 -2.57 0.21 0.00 0.02 0.00 0.00 41.25 38.90 1yua s ASN 2 CO 0.00 -1.54 0.82 0.61 0.02 0.00 0.00 177.10 177.01 1yua n GLY 3 N 6.37 -0.57 3.85 0.66 0.00 -1.26 -5.15 105.19 109.08 1yua n GLY 3 Ca 0.39 0.48 -0.22 0.00 0.00 0.00 0.00 46.02 46.67 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 0.81 2.99 0.28 1.61 2.56 -1.26 -5.13 118.70 120.56 1yua s GLU 4 Ca 0.30 -1.02 0.01 0.00 0.00 0.00 0.00 54.97 54.26 1yua s GLU 4 Cb 0.08 -2.61 0.01 0.00 2.00 0.00 0.00 34.13 33.61 1yua s GLU 4 CO -0.11 0.39 0.09 0.28 -0.56 0.00 0.00 175.26 175.36 1yua n VAL 5 N -1.22 0.00 -1.46 3.70 0.31 -1.26 -4.98 118.33 113.43 1yua n VAL 5 Ca -0.08 -1.24 -0.44 0.00 -0.01 0.00 0.00 64.34 62.57 1yua n VAL 5 Cb 0.58 0.05 -0.13 0.00 -0.91 0.00 0.00 33.84 33.43 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 -2.24 0.36 -0.65 3.52 0.00 -1.26 -4.84 120.51 115.40 1yua n ALA 6 Ca -0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 1yua n ALA 6 Cb 0.34 -2.34 0.10 0.00 0.00 0.00 0.00 19.45 17.55 1yua n ALA 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yua n PRO 7 N 8.36 -1.07 0.25 0.00 -0.02 -1.26 -4.65 135.00 136.61 1yua n PRO 7 Ca 0.60 -0.50 0.15 0.00 -2.02 0.00 0.00 63.50 61.72 1yua n PRO 7 Cb 0.08 -0.98 0.64 0.00 -0.02 0.00 0.00 33.50 33.22 1yua n PRO 7 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1yua h PRO 8 N 0.00 0.00 -6.39 0.52 0.11 -2.06 -3.38 132.00 120.80 1yua h PRO 8 Ca -0.14 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.40 1yua h PRO 8 Cb 0.46 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.51 1yua h PRO 8 CO 0.08 0.00 0.89 0.15 -0.21 0.00 0.00 178.00 178.91 1yua s LYS 9 N -4.21 3.97 0.00 1.05 -0.14 -1.26 -4.75 119.74 114.40 1yua s LYS 9 Ca -0.03 1.03 0.00 0.00 -1.36 0.00 0.00 55.97 55.61 1yua s LYS 9 Cb 0.09 -3.80 0.00 0.00 -1.68 0.00 0.00 37.83 32.44 1yua s LYS 9 CO 0.30 -1.04 0.00 0.39 -0.76 0.00 0.00 175.35 174.23 1yua n GLU 10 N 7.15 0.22 -3.87 1.68 4.71 -1.26 -4.96 120.64 124.32 1yua n GLU 10 Ca 0.13 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.91 1yua n GLU 10 Cb 0.47 -0.60 0.02 0.00 -1.01 0.00 0.00 31.44 30.33 1yua n GLU 10 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1yua n ASP 11 N -1.46 -4.79 -3.00 1.62 8.00 -1.26 -4.95 116.55 110.70 1yua n ASP 11 Ca 0.00 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1yua n ASP 11 Cb 0.10 -2.36 0.00 0.00 -0.02 0.00 0.00 41.12 38.84 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1yua n PRO 12 N -4.29 1.22 -3.77 -0.24 -0.04 -1.26 -5.00 135.00 121.61 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 0.59 0.00 -0.10 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 2.22 -1.69 0.52 0.31 -0.66 -4.89 118.33 114.14 1yua n VAL 13 Ca 0.00 -4.99 -0.58 0.00 -0.01 0.00 0.00 64.34 58.76 1yua n VAL 13 Cb 0.00 -2.25 -0.07 0.00 -0.91 0.00 0.00 33.84 30.60 1yua n VAL 13 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1yua n PRO 14 N 2.00 0.94 -2.71 5.55 -0.02 -1.26 -0.80 135.00 138.70 1yua n PRO 14 Ca 0.21 0.34 -0.31 0.00 -2.02 0.00 0.00 63.50 61.73 1yua n PRO 14 Cb 0.36 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 1yua n PRO 14 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1yua n LEU 15 N 4.51 5.32 -0.37 2.45 4.77 -0.69 -4.84 117.00 128.15 1yua n LEU 15 Ca 0.25 -5.47 -0.03 0.00 -0.03 0.00 0.00 56.01 50.74 1yua n LEU 15 Cb 0.11 -0.69 0.02 0.00 -2.33 0.00 0.00 43.42 40.53 1yua n LEU 15 CO 0.78 2.23 0.58 -0.65 -1.33 0.00 0.00 177.39 179.00 1yua h PRO 16 N 3.13 -0.02 -1.62 3.23 0.11 -1.90 0.21 132.00 135.14 1yua h PRO 16 Ca 0.28 0.00 0.50 0.00 0.11 0.00 0.00 66.00 66.89 1yua h PRO 16 Cb 0.52 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.54 1yua h PRO 16 CO 0.94 -0.01 1.13 -1.91 -0.21 0.00 0.00 178.00 177.94 1yua n GLU 17 N -5.44 -0.01 -3.77 1.05 4.07 -1.26 -1.81 120.64 113.46 1yua n GLU 17 Ca 0.09 1.05 -0.33 0.00 -0.06 0.00 0.00 57.16 57.91 1yua n GLU 17 Cb 0.38 -2.29 -0.10 0.00 -0.06 0.00 0.00 31.44 29.38 1yua n GLU 17 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1yua s LEU 18 N -8.09 5.14 0.00 4.31 2.34 0.75 -5.08 118.68 118.05 1yua s LEU 18 Ca -0.05 -3.60 -0.10 0.00 0.06 0.00 0.00 54.13 50.44 1yua s LEU 18 Cb 0.26 -1.78 0.15 0.00 -0.56 0.00 0.00 46.19 44.26 1yua s LEU 18 CO 0.80 -0.18 0.34 -2.65 -1.06 0.00 0.00 176.35 173.60 1yua n PRO 19 N 2.42 -0.89 0.00 1.48 -0.02 -0.75 -1.40 135.00 135.83 1yua n PRO 19 Ca 0.18 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 1yua n PRO 19 Cb 0.36 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1yua n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yua n GLU 21 N -0.63 4.22 -1.77 0.00 2.13 -1.26 -4.76 120.64 118.57 1yua n GLU 21 Ca 0.00 -4.25 -0.11 0.00 0.66 0.00 0.00 57.16 53.46 1yua n GLU 21 Cb 0.00 -2.37 -0.03 0.00 0.27 0.00 0.00 31.44 29.31 1yua n GLU 21 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1yua n LYS 22 N -0.27 -1.68 -0.76 5.31 4.01 -1.26 -4.88 118.16 118.63 1yua n LYS 22 Ca 0.48 0.58 0.00 0.00 -0.51 0.00 0.00 58.31 58.86 1yua n LYS 22 Cb 0.28 -4.93 0.00 0.00 -0.51 0.00 0.00 35.03 29.86 1yua n LYS 22 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1yua n SER 23 N -0.83 1.07 -0.05 4.39 3.41 -1.26 -4.98 113.62 115.38 1yua n SER 23 Ca -0.11 -0.49 0.06 0.00 -0.26 0.00 0.00 58.87 58.07 1yua n SER 23 Cb 0.45 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.76 1yua n SER 23 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1yua n ASP 24 N -0.95 0.14 -4.97 4.04 8.00 -1.26 -4.64 116.55 116.91 1yua n ASP 24 Ca 0.00 -1.63 -0.21 0.00 0.71 0.00 0.00 54.79 53.66 1yua n ASP 24 Cb 0.00 -0.01 0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yua s ALA 25 N -1.98 3.90 0.23 2.24 0.00 -1.26 -4.97 121.76 119.93 1yua s ALA 25 Ca 0.19 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 1yua s ALA 25 Cb 0.09 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 21.15 1yua s ALA 25 CO 0.15 -0.68 0.34 2.48 0.00 0.00 0.00 175.76 178.05 1yua n TYR 26 N -2.29 -1.19 -2.90 0.00 4.11 -1.26 -0.87 117.16 112.75 1yua n TYR 26 Ca 0.07 -1.48 -0.44 0.00 -0.00 0.00 0.00 57.90 56.05 1yua n TYR 26 Cb 0.59 0.39 -0.01 0.00 -0.00 0.00 0.00 39.34 40.31 1yua n TYR 26 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 1yua s PHE 27 N -3.79 3.32 -0.87 -3.48 0.08 -0.50 -0.79 117.98 111.97 1yua s PHE 27 Ca 0.18 -1.88 -0.25 0.00 0.12 0.00 0.00 56.93 55.10 1yua s PHE 27 Cb -0.01 -4.35 -0.00 0.00 -0.57 0.00 0.00 43.02 38.09 1yua s PHE 27 CO 0.13 -1.47 1.69 0.08 -0.10 0.00 0.00 175.22 175.55 1yua s VAL 28 N 2.15 3.61 -0.88 -0.44 1.01 -0.46 -1.71 120.40 123.68 1yua s VAL 28 Ca 0.41 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.95 1yua s VAL 28 Cb -0.03 -4.43 -0.25 0.00 0.00 0.00 0.00 36.38 31.66 1yua s VAL 28 CO -0.02 -1.36 2.09 -0.11 0.00 0.00 0.00 175.10 175.70 1yua n LEU 29 N 11.62 -0.65 -4.86 3.92 0.00 0.02 -3.36 117.00 123.68 1yua n LEU 29 Ca 0.30 -0.22 -0.33 0.00 0.00 0.00 0.00 56.01 55.76 1yua n LEU 29 Cb 0.49 -0.61 -0.06 0.00 0.00 0.00 0.00 43.42 43.25 1yua n LEU 29 CO 0.65 -1.00 0.26 -0.13 0.00 0.00 0.00 177.39 177.17 1yua s ARG 30 N 6.87 3.88 -0.27 1.96 0.52 0.11 -1.65 118.95 130.38 1yua s ARG 30 Ca 1.17 0.40 0.03 0.00 -0.52 0.00 0.00 55.73 56.81 1yua s ARG 30 Cb -0.90 -2.68 0.07 0.00 0.52 0.00 0.00 34.95 31.96 1yua s ARG 30 CO 0.47 0.33 -0.08 0.16 0.02 0.00 0.00 175.30 176.20 1yua s ASP 31 N -2.18 4.51 0.00 0.23 -4.77 -1.26 -1.57 116.67 111.61 1yua s ASP 31 Ca 0.46 -1.51 0.00 0.00 -3.30 0.00 0.00 52.55 48.20 1yua s ASP 31 Cb -0.12 -1.57 0.00 0.00 -1.09 0.00 0.00 42.92 40.14 1yua s ASP 31 CO 0.20 -0.22 0.00 0.61 0.70 0.00 0.00 175.17 176.46 1yua n GLY 32 N 4.41 1.42 0.07 2.12 0.00 -1.01 -5.00 105.19 107.20 1yua n GLY 32 Ca -0.11 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.00 1.65 0.71 4.61 0.00 -1.26 -4.34 120.51 118.89 1yua n ALA 33 Ca 0.00 -0.91 0.10 0.00 0.00 0.00 0.00 53.44 52.63 1yua n ALA 33 Cb 0.00 -0.04 0.44 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.54 1.95 0.00 0.00 0.00 -1.26 -4.96 120.51 113.70 1yua n ALA 34 Ca -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1yua n ALA 34 Cb 0.95 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1yua n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yua n GLY 35 N 0.64 -0.19 3.92 0.00 0.00 -1.26 -4.88 105.19 103.42 1yua n GLY 35 Ca 0.05 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 1yua n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yua s VAL 36 N -1.72 2.21 0.00 1.61 -7.23 -1.26 -2.41 120.40 111.60 1yua s VAL 36 Ca 0.00 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 1yua s VAL 36 Cb 0.00 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.95 1yua s VAL 36 CO 0.00 0.00 0.00 2.22 -0.31 0.00 0.00 175.10 177.01 1yua n PHE 37 N -3.03 0.00 -2.95 2.82 -1.74 -0.61 -4.15 117.46 107.81 1yua n PHE 37 Ca 0.08 0.00 -0.44 0.00 -0.56 0.00 0.00 57.45 56.54 1yua n PHE 37 Cb 0.61 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.57 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 4.79 0.26 5.98 1.43 -0.57 0.05 118.68 130.63 1yua s LEU 38 Ca 0.00 -1.26 -0.11 0.00 -1.03 0.00 0.00 54.13 51.72 1yua s LEU 38 Cb 0.00 -2.38 -0.08 0.00 0.03 0.00 0.00 46.19 43.76 1yua s LEU 38 CO 0.00 -1.29 0.61 0.00 0.23 0.00 0.00 176.35 175.89 1yua s ALA 39 N 3.45 3.49 0.42 4.21 0.00 -1.21 -3.62 121.76 128.50 1yua s ALA 39 Ca 0.20 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 1yua s ALA 39 Cb -0.18 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.33 1yua s ALA 39 CO 0.07 0.46 1.25 0.00 0.00 0.00 0.00 175.76 177.53 1yua s ALA 40 N -1.87 3.17 -0.98 0.00 0.00 -1.26 -1.36 121.76 119.48 1yua s ALA 40 Ca 0.49 1.13 0.21 0.00 0.00 0.00 0.00 51.96 53.79 1yua s ALA 40 Cb -0.11 -3.45 0.88 0.00 0.00 0.00 0.00 23.12 20.45 1yua s ALA 40 CO 0.20 -0.75 1.67 -1.71 0.00 0.00 0.00 175.76 175.17 1yua n ASN 41 N -0.00 0.04 -1.10 0.00 2.85 0.03 -2.11 115.26 114.96 1yua n ASN 41 Ca 0.05 0.51 0.12 0.00 -0.11 0.00 0.00 54.58 55.14 1yua n ASN 41 Cb 0.45 -0.52 0.23 0.00 1.24 0.00 0.00 39.78 41.18 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 -1.54 0.47 -1.25 -0.44 -2.24 -1.26 -4.91 114.28 103.11 1yua n THR 42 Ca 0.05 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 1yua n THR 42 Cb 0.25 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.39 -1.18 1.82 4.78 -0.00 -0.90 -0.71 117.46 122.67 1yua n PHE 43 Ca 0.19 0.74 0.13 0.00 -0.00 0.00 0.00 57.45 58.51 1yua n PHE 43 Cb 0.58 -1.73 0.70 0.00 -0.00 0.00 0.00 39.48 39.03 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 1.08 1.20 -0.34 -7.13 -0.04 -1.26 -4.86 135.00 123.65 1yua n PRO 44 Ca 0.14 -0.30 0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1yua n PRO 44 Cb 0.30 -1.43 0.28 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.68 0.01 -4.72 0.54 3.64 -1.31 -3.22 116.57 112.19 1yua h LYS 45 Ca 0.00 -0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.70 1yua h LYS 45 Cb 0.15 -0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 31.61 1yua h LYS 45 CO 0.00 0.01 -0.69 0.45 -2.27 0.00 0.00 179.45 176.95 1yua s SER 46 N -5.02 4.87 -0.23 4.20 0.15 -1.26 -4.96 113.70 111.45 1yua s SER 46 Ca -0.13 -1.56 0.01 0.00 0.70 0.00 0.00 55.95 54.97 1yua s SER 46 Cb 0.29 -1.70 0.30 0.00 -1.71 0.00 0.00 66.02 63.20 1yua s SER 46 CO 0.78 -0.32 1.54 0.54 1.20 0.00 0.00 173.24 176.98 1yua n ARG 47 N 4.53 1.63 -1.15 5.44 1.74 -1.22 -3.99 116.66 123.64 1yua n ARG 47 Ca -0.09 -1.45 -0.18 0.00 -0.77 0.00 0.00 57.85 55.36 1yua n ARG 47 Cb 0.43 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 30.23 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 -0.16 2.05 -3.86 5.56 1.02 -1.26 -4.90 120.64 119.08 1yua n GLU 48 Ca 0.29 -1.59 -0.36 0.00 -0.02 0.00 0.00 57.16 55.47 1yua n GLU 48 Cb 0.97 -1.91 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.07 5.47 0.00 2.62 -4.23 -1.26 -4.57 115.64 112.60 1yua s THR 49 Ca 0.51 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 1yua s THR 49 Cb 0.31 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1yua s THR 49 CO -0.10 0.54 0.00 -2.11 -0.54 0.00 0.00 174.62 172.42 1yua n ARG 50 N 1.71 -0.89 -1.49 3.99 1.85 -1.24 -4.91 116.66 115.69 1yua n ARG 50 Ca -0.17 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.22 1yua n ARG 50 Cb 0.54 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.93 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yua n ALA 51 N -0.52 -1.59 -2.01 2.89 0.00 -1.26 -1.51 120.51 116.52 1yua n ALA 51 Ca 0.00 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 1yua n ALA 51 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 1yua n ALA 51 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yua s PRO 52 N -1.30 4.55 0.49 0.00 0.04 -1.26 -4.43 135.00 133.08 1yua s PRO 52 Ca 0.61 1.81 -0.23 0.00 0.04 0.00 0.00 61.00 63.24 1yua s PRO 52 Cb -0.79 -3.24 -0.07 0.00 0.04 0.00 0.00 34.50 30.43 1yua s PRO 52 CO 0.58 0.02 1.21 1.28 0.04 0.00 0.00 177.00 180.13 1yua n LEU 53 N 2.23 4.28 0.17 -3.56 4.77 -1.26 -2.11 117.00 121.52 1yua n LEU 53 Ca 0.03 1.01 0.05 0.00 -0.03 0.00 0.00 56.01 57.06 1yua n LEU 53 Cb 0.45 -1.49 0.49 0.00 -2.33 0.00 0.00 43.42 40.54 1yua n LEU 53 CO 0.55 -0.93 0.97 0.58 -1.33 0.00 0.00 177.39 177.22 1yua h VAL 54 N 1.54 1.11 0.00 4.08 2.07 -1.71 -1.28 116.25 122.06 1yua h VAL 54 Ca -0.49 -0.47 -0.13 0.00 0.82 0.00 0.00 66.70 66.44 1yua h VAL 54 Cb 1.31 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1yua h VAL 54 CO 0.57 0.15 -0.60 1.05 0.02 0.00 0.00 177.57 178.76 1yua h GLU 55 N 0.14 0.00 0.00 1.57 4.11 -1.82 -2.44 114.58 116.15 1yua h GLU 55 Ca 0.03 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.29 1yua h GLU 55 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1yua h GLU 55 CO 0.01 0.60 -0.81 1.49 0.07 0.00 0.00 179.01 180.37 1yua h GLU 56 N 0.00 0.00 -0.20 1.06 4.57 -1.62 -1.25 114.58 117.15 1yua h GLU 56 Ca -0.01 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.97 1yua h GLU 56 Cb 1.23 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1yua h GLU 56 CO 0.08 0.81 -0.67 1.25 -1.18 0.00 0.00 179.01 179.29 1yua h LEU 57 N 0.00 0.94 -0.22 1.64 7.12 -1.17 -2.27 115.31 121.35 1yua h LEU 57 Ca -0.01 -0.60 -0.22 0.00 0.13 0.00 0.00 57.88 57.19 1yua h LEU 57 Cb 1.45 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1yua h LEU 57 CO 0.10 1.37 -0.88 0.22 -0.13 0.00 0.00 178.44 179.12 1yua h TYR 58 N 0.55 0.66 -0.05 1.25 5.03 -1.43 -2.23 116.97 120.76 1yua h TYR 58 Ca -0.03 -0.34 -0.07 0.00 2.58 0.00 0.00 58.73 60.88 1yua h TYR 58 Cb 1.30 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.48 1yua h TYR 58 CO 0.08 1.14 -0.29 -0.09 -1.32 0.00 0.00 178.16 177.69 1yua h ARG 59 N 0.28 0.08 -0.58 1.82 2.43 -1.23 -2.58 114.38 114.59 1yua h ARG 59 Ca -0.07 -0.03 -0.33 0.00 -0.81 0.00 0.00 59.98 58.75 1yua h ARG 59 Cb 1.51 -0.01 -0.19 0.00 -0.42 0.00 0.00 29.97 30.85 1yua h ARG 59 CO 0.16 0.37 0.10 1.19 -1.51 0.00 0.00 179.97 180.28 1yua n PHE 60 N -4.16 1.84 0.12 2.20 3.72 -0.86 -4.64 117.46 115.69 1yua n PHE 60 Ca -0.02 -1.84 0.04 0.00 -0.05 0.00 0.00 57.45 55.58 1yua n PHE 60 Cb 0.36 -0.67 0.47 0.00 -0.94 0.00 0.00 39.48 38.70 1yua n PHE 60 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1yua h ARG 61 N 1.18 0.26 0.00 -1.08 9.65 -0.98 -0.74 114.38 122.67 1yua h ARG 61 Ca 0.36 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.20 1yua h ARG 61 Cb 1.85 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 30.38 1yua h ARG 61 CO 0.68 0.27 -0.04 0.22 2.80 0.00 0.00 179.97 183.90 1yua h ASP 62 N 0.26 0.00 -0.53 -3.80 1.82 -1.84 -1.24 116.42 111.10 1yua h ASP 62 Ca 0.06 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.39 1yua h ASP 62 Cb 0.15 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 39.96 1yua h ASP 62 CO 0.00 0.04 -0.05 -1.14 -1.61 0.00 0.00 179.24 176.48 1yua n ARG 63 N -3.88 2.22 -3.13 0.28 0.63 -0.30 -4.98 116.66 107.49 1yua n ARG 63 Ca -0.03 -3.35 -0.40 0.00 -0.92 0.00 0.00 57.85 53.15 1yua n ARG 63 Cb 0.13 -1.97 -0.06 0.00 0.45 0.00 0.00 32.46 31.01 1yua n ARG 63 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1yua s LEU 64 N -3.38 4.08 0.00 6.15 0.20 -0.47 -4.92 118.68 120.35 1yua s LEU 64 Ca 0.49 0.71 0.00 0.00 0.69 0.00 0.00 54.13 56.02 1yua s LEU 64 Cb 0.42 -2.83 0.00 0.00 -0.43 0.00 0.00 46.19 43.35 1yua s LEU 64 CO 0.01 -0.33 0.66 -0.81 -0.29 0.00 0.00 176.35 175.59 1yua n PRO 65 N 5.48 0.87 0.00 0.98 -0.04 -1.26 -4.83 135.00 136.20 1yua n PRO 65 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1yua n PRO 65 Cb 0.49 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 1yua n PRO 65 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yua n GLU 66 N -0.23 0.00 0.00 0.54 2.13 -1.26 -4.74 120.64 117.07 1yua n GLU 66 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1yua n GLU 66 Cb 0.10 -2.33 0.35 0.00 0.27 0.00 0.00 31.44 29.83 1yua n GLU 66 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yua n LYS 67 N -1.67 0.41 -0.44 5.31 4.81 -1.26 -2.57 118.16 122.75 1yua n LYS 67 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1yua n LYS 67 Cb 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.61 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1yua n LEU 68 N -0.94 0.00 0.19 3.14 4.32 -1.26 -4.96 117.00 117.49 1yua n LEU 68 Ca 0.09 -0.90 -0.11 0.00 -0.02 0.00 0.00 56.01 55.06 1yua n LEU 68 Cb 0.04 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.78 1yua n LEU 68 CO 0.07 0.54 0.52 0.03 -1.22 0.00 0.00 177.39 177.32 1yua h ARG 69 N 0.00 -0.60 -1.43 3.23 2.47 -1.88 -0.31 114.38 115.85 1yua h ARG 69 Ca 0.00 0.04 0.42 0.00 -1.26 0.00 0.00 59.98 59.18 1yua h ARG 69 Cb 1.19 0.14 -0.06 0.00 -1.65 0.00 0.00 29.97 29.59 1yua h ARG 69 CO 0.00 -0.40 1.20 0.10 0.56 0.00 0.00 179.97 181.42 1yua h TYR 70 N -0.63 0.00 0.01 3.04 -0.00 -1.93 0.77 116.97 118.23 1yua h TYR 70 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.59 1yua h TYR 70 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.27 1yua h TYR 70 CO -0.15 0.00 -0.38 -0.07 -0.00 0.00 0.00 178.16 177.56 1yua h LEU 71 N 0.00 0.31 -0.85 0.10 3.38 -1.49 -3.03 115.31 113.74 1yua h LEU 71 Ca 0.68 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1yua h LEU 71 Cb 3.07 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 43.72 1yua h LEU 71 CO -0.01 1.07 0.00 0.00 0.09 0.00 0.00 178.44 179.60 1yua n ALA 72 N -2.57 1.20 0.07 1.53 0.00 0.26 -1.41 120.51 119.60 1yua n ALA 72 Ca -0.10 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 1yua n ALA 72 Cb 0.57 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 1yua n ALA 72 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1yua h ASP 73 N 0.00 0.45 -2.10 0.00 5.19 -1.23 -3.41 116.42 115.33 1yua h ASP 73 Ca 0.00 -0.61 -0.46 0.00 -0.62 0.00 0.00 57.03 55.34 1yua h ASP 73 Cb 0.09 -0.15 0.24 0.00 0.18 0.00 0.00 39.33 39.69 1yua h ASP 73 CO 0.00 1.50 -1.35 0.00 -3.12 0.00 0.00 179.24 176.27 1yua n ALA 74 N -2.68 -4.44 -1.13 3.45 0.00 -0.50 -4.92 120.51 110.29 1yua n ALA 74 Ca -0.17 -1.32 -0.30 0.00 0.00 0.00 0.00 53.44 51.65 1yua n ALA 74 Cb 1.05 -1.40 0.13 0.00 0.00 0.00 0.00 19.45 19.22 1yua n ALA 74 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yua s PRO 75 N -3.22 1.52 -0.27 0.00 0.04 -1.26 -4.98 135.00 126.84 1yua s PRO 75 Ca 0.53 1.05 0.21 0.00 0.04 0.00 0.00 61.00 62.83 1yua s PRO 75 Cb -0.08 -1.82 0.50 0.00 0.04 0.00 0.00 34.50 33.14 1yua s PRO 75 CO 0.66 -2.12 1.11 0.00 0.04 0.00 0.00 177.00 176.69 1yua n GLN 76 N -3.83 1.95 0.00 4.56 10.64 -1.26 -4.64 117.38 124.79 1yua n GLN 76 Ca 0.08 -3.59 0.00 0.00 -1.83 0.00 0.00 57.00 51.67 1yua n GLN 76 Cb 0.54 -1.68 0.00 0.00 -0.86 0.00 0.00 30.24 28.24 1yua n GLN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yua n GLN 77 N -0.59 0.00 -0.08 2.61 10.64 -1.26 -2.33 117.38 126.38 1yua n GLN 77 Ca 0.12 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.30 1yua n GLN 77 Cb 0.82 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 30.20 1yua n GLN 77 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1yua n ASP 78 N 0.00 -0.41 0.17 2.61 2.03 -1.26 -2.22 116.55 117.46 1yua n ASP 78 Ca 0.00 0.08 0.08 0.00 0.52 0.00 0.00 54.79 55.47 1yua n ASP 78 Cb 0.00 -0.26 0.42 0.00 -0.72 0.00 0.00 41.12 40.56 1yua n ASP 78 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1yua h PRO 79 N -0.07 0.00 0.05 -0.67 0.11 -2.00 0.67 132.00 130.08 1yua h PRO 79 Ca -0.01 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.79 1yua h PRO 79 Cb 0.07 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.15 1yua h PRO 79 CO 0.00 0.00 -1.72 1.49 -0.21 0.00 0.00 178.00 177.56 1yua h GLU 80 N 0.00 0.10 0.00 1.05 4.81 -2.04 -3.48 114.58 115.01 1yua h GLU 80 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1yua h GLU 80 Cb 0.48 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1yua h GLU 80 CO 0.00 0.77 0.00 0.41 -0.73 0.00 0.00 179.01 179.46 1yua n GLY 81 N 1.67 1.69 3.51 1.92 0.00 0.23 -5.03 105.19 109.17 1yua n GLY 81 Ca -0.20 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 0.01 0.23 -2.75 1.61 6.94 -0.94 -4.60 115.26 115.76 1yua n ASN 82 Ca 0.00 -0.11 -0.25 0.00 -0.02 0.00 0.00 54.58 54.20 1yua n ASN 82 Cb 0.00 -0.95 0.01 0.00 -2.36 0.00 0.00 39.78 36.48 1yua n ASN 82 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1yua n LYS 83 N 7.97 0.00 -4.46 -3.83 4.01 -1.26 -3.76 118.16 116.83 1yua n LYS 83 Ca 0.62 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 58.18 1yua n LYS 83 Cb 0.13 -0.65 -0.17 0.00 -0.51 0.00 0.00 35.03 33.83 1yua n LYS 83 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1yua s THR 84 N -1.28 1.10 0.49 -0.18 2.01 -0.98 -1.18 115.64 115.62 1yua s THR 84 Ca 0.37 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 62.00 1yua s THR 84 Cb -0.33 -1.03 0.02 0.00 0.01 0.00 0.00 72.50 71.17 1yua s THR 84 CO 0.43 0.35 0.44 0.00 -0.69 0.00 0.00 174.62 175.14 1yua s MET 85 N 0.84 2.37 0.38 4.92 0.23 -1.02 -2.24 119.30 124.78 1yua s MET 85 Ca -0.11 -1.77 -0.09 0.00 -1.03 0.00 0.00 55.69 52.69 1yua s MET 85 Cb -0.15 -2.28 -0.06 0.00 -1.53 0.00 0.00 34.83 30.81 1yua s MET 85 CO 0.02 -0.46 0.72 0.08 -2.03 0.00 0.00 175.02 173.35 1yua s VAL 86 N -2.63 4.84 0.15 5.16 1.01 -0.90 -1.22 120.40 126.82 1yua s VAL 86 Ca 0.44 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.94 1yua s VAL 86 Cb -0.03 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1yua s VAL 86 CO 0.26 -0.47 0.13 0.54 0.00 0.00 0.00 175.10 175.56 1yua n ARG 87 N -1.21 0.22 -3.78 2.72 5.12 0.24 -4.30 116.66 115.67 1yua n ARG 87 Ca 0.01 -1.53 -0.14 0.00 -1.93 0.00 0.00 57.85 54.26 1yua n ARG 87 Cb 0.54 1.23 -0.15 0.00 -1.16 0.00 0.00 32.46 32.92 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 -2.60 -0.06 -0.14 -1.55 2.19 -1.26 -2.11 117.98 112.45 1yua s PHE 88 Ca 0.18 0.25 -0.03 0.00 0.33 0.00 0.00 56.93 57.66 1yua s PHE 88 Cb 0.01 -0.13 -0.03 0.00 -1.31 0.00 0.00 43.02 41.56 1yua s PHE 88 CO 0.13 -0.10 -0.03 -1.54 1.83 0.00 0.00 175.22 175.50 1yua s SER 89 N 0.88 4.90 0.17 6.13 1.04 -0.91 -4.90 113.70 121.01 1yua s SER 89 Ca -0.07 -0.06 0.23 0.00 0.48 0.00 0.00 55.95 56.53 1yua s SER 89 Cb -0.10 -1.68 0.17 0.00 0.10 0.00 0.00 66.02 64.52 1yua s SER 89 CO -0.03 0.22 1.19 0.03 0.98 0.00 0.00 173.24 175.63 1yua h ARG 90 N 6.30 0.00 0.00 4.02 3.08 -1.94 0.14 114.38 125.98 1yua h ARG 90 Ca -0.36 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1yua h ARG 90 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1yua h ARG 90 CO 0.61 0.00 -0.07 0.87 -1.07 0.00 0.00 179.97 180.30 1yua h LYS 91 N 0.00 0.00 0.00 0.04 6.56 -1.98 -3.17 116.57 118.02 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 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1yua h LYS 91 CO 0.00 0.07 0.00 0.25 -2.06 0.00 0.00 179.45 177.71 1yua n THR 92 N -3.55 0.04 -3.82 -0.16 -2.24 -1.24 -5.03 114.28 98.29 1yua n THR 92 Ca -0.02 -0.06 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 1yua n THR 92 Cb 0.20 1.37 0.01 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.02 -2.23 -2.31 -0.78 4.01 0.45 -4.96 118.16 112.31 1yua n LYS 93 Ca 0.00 0.42 -0.03 0.00 -0.51 0.00 0.00 58.31 58.19 1yua n LYS 93 Cb 0.38 -4.25 -0.01 0.00 -0.51 0.00 0.00 35.03 30.64 1yua n LYS 93 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1yua n GLN 94 N -4.34 0.77 -4.28 1.97 6.02 -0.93 -4.96 117.38 111.64 1yua n GLN 94 Ca -0.20 -0.45 -0.34 0.00 -0.01 0.00 0.00 57.00 56.00 1yua n GLN 94 Cb 0.63 0.26 -0.15 0.00 1.02 0.00 0.00 30.24 32.01 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 -2.20 3.24 -0.06 -1.09 2.00 -1.26 -2.14 119.66 118.15 1yua s GLN 95 Ca 0.03 -0.72 0.04 0.00 -2.00 0.00 0.00 55.36 52.71 1yua s GLN 95 Cb 0.00 -2.73 0.00 0.00 0.80 0.00 0.00 33.01 31.08 1yua s GLN 95 CO 0.02 -0.07 -0.18 1.52 -0.50 0.00 0.00 175.29 176.08 1yua s TYR 96 N 1.06 1.89 0.56 1.67 -0.85 -0.90 -1.68 117.35 119.10 1yua s TYR 96 Ca -0.00 -0.65 -0.04 0.00 -0.52 0.00 0.00 57.07 55.86 1yua s TYR 96 Cb -0.15 -1.29 0.01 0.00 0.38 0.00 0.00 41.96 40.91 1yua s TYR 96 CO -0.03 -0.26 0.84 0.14 -1.52 0.00 0.00 175.55 174.72 1yua s VAL 97 N 0.26 3.54 -0.17 -3.49 -7.23 0.14 0.81 120.40 114.26 1yua s VAL 97 Ca -0.10 -0.21 -0.07 0.00 -1.81 0.00 0.00 61.98 59.79 1yua s VAL 97 Cb -0.14 -3.38 0.08 0.00 0.56 0.00 0.00 36.38 33.49 1yua s VAL 97 CO 0.04 -0.35 0.37 -0.44 -0.31 0.00 0.00 175.10 174.42 1yua s SER 98 N -4.31 -0.16 0.72 4.85 0.01 -0.35 0.23 113.70 114.69 1yua s SER 98 Ca 0.53 0.86 -0.11 0.00 1.31 0.00 0.00 55.95 58.55 1yua s SER 98 Cb -0.10 1.06 0.02 0.00 0.21 0.00 0.00 66.02 67.20 1yua s SER 98 CO 0.43 -0.22 1.07 -0.44 0.41 0.00 0.00 173.24 174.48 1yua s SER 99 N 2.30 5.12 -0.21 2.44 0.01 -0.22 -2.44 113.70 120.70 1yua s SER 99 Ca -0.03 1.68 -0.04 0.00 1.31 0.00 0.00 55.95 58.87 1yua s SER 99 Cb -0.11 -2.50 0.11 0.00 0.21 0.00 0.00 66.02 63.72 1yua s SER 99 CO -0.12 -1.62 0.36 -1.61 0.41 0.00 0.00 173.24 170.66 1yua s GLU 100 N -4.99 0.29 0.00 12.44 2.02 -0.32 -4.14 118.70 124.00 1yua s GLU 100 Ca 0.59 0.69 0.00 0.00 0.02 0.00 0.00 54.97 56.27 1yua s GLU 100 Cb -0.15 -0.23 0.00 0.00 0.10 0.00 0.00 34.13 33.85 1yua s GLU 100 CO 0.55 -0.47 0.00 1.17 0.02 0.00 0.00 175.26 176.53 1yua n LYS 101 N 5.37 0.11 0.04 1.61 4.81 -1.26 -4.11 118.16 124.72 1yua n LYS 101 Ca -0.06 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.42 1yua n LYS 101 Cb 0.50 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.74 1yua n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1yua n ASP 102 N -1.24 0.14 0.00 3.14 8.00 -1.26 -4.36 116.55 120.98 1yua n ASP 102 Ca 0.00 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1yua n ASP 102 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1yua n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yua n GLY 103 N -1.15 -0.26 0.09 0.44 0.00 -1.26 -5.04 105.19 98.00 1yua n GLY 103 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 -3.66 1.61 0.00 -1.26 -5.05 118.16 109.80 1yua n LYS 104 Ca 0.00 -0.43 -0.25 0.00 -0.00 0.00 0.00 58.31 57.63 1yua n LYS 104 Cb 0.00 -0.36 0.01 0.00 -0.00 0.00 0.00 35.03 34.68 1yua n LYS 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yua n ALA 105 N 0.00 -2.69 -0.33 0.58 0.00 -1.26 -4.72 120.51 112.09 1yua n ALA 105 Ca 0.00 -0.10 0.24 0.00 0.00 0.00 0.00 53.44 53.58 1yua n ALA 105 Cb 0.53 -1.12 0.47 0.00 0.00 0.00 0.00 19.45 19.32 1yua n ALA 105 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1yua h THR 106 N 0.28 0.22 0.00 0.00 1.35 -1.90 -3.45 112.91 109.42 1yua h THR 106 Ca -0.56 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1yua h THR 106 Cb 1.36 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1yua h THR 106 CO 0.33 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 1yua n GLY 107 N -1.30 2.16 3.53 5.82 0.00 -1.26 -4.97 105.19 109.17 1yua n GLY 107 Ca 0.31 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.32 0.90 -3.30 1.61 -0.00 -1.26 -4.02 117.44 111.05 1yua n TRP 108 Ca 0.00 0.88 -0.09 0.00 -0.00 0.00 0.00 57.50 58.29 1yua n TRP 108 Cb 0.00 -2.18 -0.06 0.00 -0.00 0.00 0.00 31.31 29.08 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 0.06 0.35 0.34 5.87 1.04 -1.18 -1.05 113.70 119.13 1yua s SER 109 Ca 0.85 -0.51 -0.07 0.00 0.48 0.00 0.00 55.95 56.70 1yua s SER 109 Cb -1.09 1.10 -0.06 0.00 0.10 0.00 0.00 66.02 66.07 1yua s SER 109 CO 0.53 -0.34 0.64 0.00 0.98 0.00 0.00 173.24 175.06 1yua s ALA 110 N 2.42 3.51 0.15 5.32 0.00 0.14 -1.05 121.76 132.24 1yua s ALA 110 Ca 0.11 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 51.75 1yua s ALA 110 Cb -0.12 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1yua s ALA 110 CO -0.27 0.13 -0.23 -0.06 0.00 0.00 0.00 175.76 175.33 1yua s PHE 111 N -2.21 2.12 -0.50 0.00 0.40 -0.78 0.29 117.98 117.31 1yua s PHE 111 Ca 0.47 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 56.24 1yua s PHE 111 Cb -0.11 -1.10 0.08 0.00 0.51 0.00 0.00 43.02 42.40 1yua s PHE 111 CO 0.31 0.37 0.48 -0.47 0.70 0.00 0.00 175.22 176.60 1yua s TYR 112 N -1.44 3.19 0.00 0.36 5.04 -0.68 0.58 117.35 124.40 1yua s TYR 112 Ca 0.15 -0.90 0.00 0.00 -2.44 0.00 0.00 57.07 53.88 1yua s TYR 112 Cb -0.09 -3.38 0.00 0.00 0.35 0.00 0.00 41.96 38.84 1yua s TYR 112 CO 0.07 -0.91 0.00 0.28 -1.34 0.00 0.00 175.55 173.65 1yua n VAL 113 N 5.32 0.00 -2.00 3.14 0.31 -0.47 -4.67 118.33 119.95 1yua n VAL 113 Ca -0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.96 1yua n VAL 113 Cb 0.43 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.30 1yua n VAL 113 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1yua s ASP 114 N -1.00 4.92 -0.92 4.52 1.01 -1.26 -2.88 116.67 121.06 1yua s ASP 114 Ca 0.00 -1.03 0.00 0.00 0.71 0.00 0.00 52.55 52.23 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1yua s ASP 114 CO 0.00 -3.06 0.00 0.61 0.21 0.00 0.00 175.17 172.93 1yua n GLY 115 N 6.40 -0.01 2.78 0.21 0.00 -1.26 -4.83 105.19 108.48 1yua n GLY 115 Ca 0.42 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 -4.29 2.06 1.05 1.61 -0.14 -1.14 -5.11 119.74 113.78 1yua s LYS 116 Ca 0.00 -3.00 -0.17 0.00 -1.36 0.00 0.00 55.97 51.44 1yua s LYS 116 Cb 0.00 -2.93 0.06 0.00 -1.68 0.00 0.00 37.83 33.28 1yua s LYS 116 CO 0.00 -1.30 0.09 0.91 -0.76 0.00 0.00 175.35 174.29 1yua n TRP 117 N 2.26 -1.56 -4.04 3.18 7.02 -1.25 -1.37 117.44 121.68 1yua n TRP 117 Ca 0.21 0.19 -0.13 0.00 -1.02 0.00 0.00 57.50 56.75 1yua n TRP 117 Cb 0.38 -1.64 -0.03 0.00 -2.42 0.00 0.00 31.31 27.59 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 -2.28 0.00 -0.05 -0.99 -7.23 0.20 -4.71 120.40 105.34 1yua s VAL 118 Ca 0.55 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 1yua s VAL 118 Cb -0.15 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.17 1yua s VAL 118 CO 0.67 0.00 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.79 1yua s GLU 119 N -3.03 0.99 -0.12 4.82 2.02 -1.26 -1.86 118.70 120.26 1yua s GLU 119 Ca 0.27 -0.17 -0.01 0.00 0.02 0.00 0.00 54.97 55.09 1yua s GLU 119 Cb -0.01 -0.93 0.03 0.00 0.10 0.00 0.00 34.13 33.31 1yua s GLU 119 CO 0.18 -0.05 -0.07 0.20 0.02 0.00 0.00 175.26 175.54 1yua s GLY 120 N 0.84 0.83 -0.57 -1.39 0.00 -0.21 -4.96 107.32 101.85 1yua s GLY 120 Ca -0.12 -0.57 -0.24 0.00 0.00 0.00 0.00 44.72 43.79 1yua s GLY 120 CO 0.01 0.85 0.93 1.25 0.00 0.00 0.00 173.10 176.15 1yua s LYS 121 N 1.71 3.27 0.00 2.90 2.20 -1.26 -3.08 119.74 125.48 1yua s LYS 121 Ca 0.04 -0.42 0.31 0.00 -0.36 0.00 0.00 55.97 55.54 1yua s LYS 121 Cb -0.13 -4.10 1.84 0.00 -1.51 0.00 0.00 37.83 33.93 1yua s LYS 121 CO -0.08 -1.55 2.17 1.63 -0.36 0.00 0.00 175.35 177.15