#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 6.23 -0.60 3.17 0.01 -1.26 -4.98 114.94 117.51 1yua s ASN 2 Ca 0.00 0.25 -0.00 0.00 -0.71 0.00 0.00 52.86 52.40 1yua s ASN 2 Cb 0.00 -2.12 0.45 0.00 0.41 0.00 0.00 41.25 39.99 1yua s ASN 2 CO 0.00 0.12 1.88 0.61 -1.51 0.00 0.00 177.10 178.20 1yua n GLY 3 N 3.74 5.97 0.82 0.66 0.00 -1.26 -4.30 105.19 110.82 1yua n GLY 3 Ca -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 46.02 43.47 1yua n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yua n GLU 4 N -0.87 0.00 -3.66 1.61 0.00 -1.26 -5.03 120.64 111.43 1yua n GLU 4 Ca 0.59 -0.79 -0.24 0.00 0.00 0.00 0.00 57.16 56.72 1yua n GLU 4 Cb 0.71 0.09 -0.17 0.00 0.00 0.00 0.00 31.44 32.07 1yua n GLU 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1yua s VAL 5 N 0.00 0.02 -0.82 6.31 -7.23 -1.26 -4.91 120.40 112.51 1yua s VAL 5 Ca 0.05 0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.22 1yua s VAL 5 Cb 0.06 -0.48 -0.00 0.00 0.56 0.00 0.00 36.38 36.52 1yua s VAL 5 CO -0.02 -0.06 0.67 0.00 -0.31 0.00 0.00 175.10 175.37 1yua n ALA 6 N 5.25 -2.64 -0.67 1.32 0.00 -1.26 -4.90 120.51 117.62 1yua n ALA 6 Ca -0.06 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 1yua n ALA 6 Cb 0.49 -1.48 0.16 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.38 -1.66 -0.15 0.00 -0.02 -1.26 -4.84 135.00 124.70 1yua n PRO 7 Ca -0.14 -0.48 -0.04 0.00 -2.02 0.00 0.00 63.50 60.82 1yua n PRO 7 Cb 0.59 -1.58 0.03 0.00 -0.02 0.00 0.00 33.50 32.52 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 -2.13 -0.01 -6.98 0.52 0.11 -2.00 -3.40 132.00 118.11 1yua h PRO 8 Ca -0.46 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.11 1yua h PRO 8 Cb 1.24 0.00 0.12 0.00 0.11 0.00 0.00 31.00 32.47 1yua h PRO 8 CO 0.31 -0.01 0.71 0.21 -0.21 0.00 0.00 178.00 179.02 1yua s LYS 9 N -6.21 3.75 0.00 1.05 2.47 -1.26 -4.97 119.74 114.56 1yua s LYS 9 Ca -0.14 2.44 0.00 0.00 -1.56 0.00 0.00 55.97 56.71 1yua s LYS 9 Cb 0.16 -2.70 0.00 0.00 -1.46 0.00 0.00 37.83 33.82 1yua s LYS 9 CO 0.71 -0.77 0.00 0.39 0.16 0.00 0.00 175.35 175.84 1yua n GLU 10 N -0.09 0.00 -3.35 4.03 1.02 -1.26 -5.02 120.64 115.96 1yua n GLU 10 Ca 0.04 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.92 1yua n GLU 10 Cb 0.41 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.76 1yua n GLU 10 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1yua n ASP 11 N 0.00 3.02 0.00 1.62 5.75 -1.26 -4.96 116.55 120.71 1yua n ASP 11 Ca 0.00 -3.29 0.00 0.00 -0.01 0.00 0.00 54.79 51.49 1yua n ASP 11 Cb 0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.43 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1yua n PRO 12 N 0.92 0.00 -3.18 0.11 -0.04 -1.26 -4.83 135.00 126.71 1yua n PRO 12 Ca 0.28 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.53 1yua n PRO 12 Cb 0.44 -0.21 -0.05 0.00 -0.04 0.00 0.00 33.50 33.64 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 -0.10 0.08 -1.61 0.52 0.31 -0.79 -4.96 118.33 111.78 1yua n VAL 13 Ca 0.00 -4.53 -0.50 0.00 -0.01 0.00 0.00 64.34 59.30 1yua n VAL 13 Cb 0.00 -1.00 -0.05 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.62 1.40 -2.50 5.55 -0.02 -1.26 -0.87 135.00 137.92 1yua n PRO 14 Ca 0.25 0.51 -0.28 0.00 -2.02 0.00 0.00 63.50 61.95 1yua n PRO 14 Cb 0.58 -2.18 -0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 2.72 4.98 -0.31 2.45 4.77 -0.72 -4.81 117.00 126.09 1yua n LEU 15 Ca 0.18 -5.26 0.19 0.00 -0.03 0.00 0.00 56.01 51.09 1yua n LEU 15 Cb 0.22 -0.54 0.36 0.00 -2.33 0.00 0.00 43.42 41.12 1yua n LEU 15 CO 0.62 2.21 0.81 -2.65 -1.33 0.00 0.00 177.39 177.05 1yua n PRO 16 N -0.44 -0.07 -0.31 3.23 -0.02 -1.26 0.08 135.00 136.21 1yua n PRO 16 Ca 0.39 1.33 0.05 0.00 -2.02 0.00 0.00 63.50 63.25 1yua n PRO 16 Cb 0.57 -2.20 0.14 0.00 -0.02 0.00 0.00 33.50 31.99 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 -5.78 -0.52 4.22 -1.96 -3.34 114.58 107.21 1yua h GLU 17 Ca 0.63 -0.00 -0.59 0.00 0.08 0.00 0.00 59.36 59.48 1yua h GLU 17 Cb 1.45 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.61 1yua h GLU 17 CO -0.80 0.01 0.19 -1.17 -2.18 0.00 0.00 179.01 175.06 1yua s LEU 18 N -11.10 4.17 0.79 1.64 2.96 0.11 -5.04 118.68 112.21 1yua s LEU 18 Ca -0.14 0.96 -0.11 0.00 -0.22 0.00 0.00 54.13 54.62 1yua s LEU 18 Cb 0.25 -3.01 0.06 0.00 0.50 0.00 0.00 46.19 44.00 1yua s LEU 18 CO 0.77 -0.29 1.08 -2.16 -1.32 0.00 0.00 176.35 174.43 1yua s PRO 19 N 1.87 2.16 0.00 0.98 0.04 -1.26 -2.78 135.00 136.01 1yua s PRO 19 Ca 0.32 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1yua s PRO 19 Cb -0.16 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1yua s PRO 19 CO 0.12 -1.65 0.00 0.00 0.04 0.00 0.00 177.00 175.51 1yua n GLU 21 N -0.88 2.22 -1.36 0.00 1.02 -1.26 -4.90 120.64 115.48 1yua n GLU 21 Ca 0.00 -3.09 -0.14 0.00 -0.02 0.00 0.00 57.16 53.91 1yua n GLU 21 Cb 0.00 -1.90 -0.06 0.00 -0.02 0.00 0.00 31.44 29.46 1yua n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1yua n LYS 22 N -0.96 -1.49 -1.19 3.49 3.00 -1.26 -4.78 118.16 114.97 1yua n LYS 22 Ca 0.36 0.89 -0.21 0.00 -0.00 0.00 0.00 58.31 59.35 1yua n LYS 22 Cb 1.13 -5.17 0.15 0.00 0.00 0.00 0.00 35.03 31.15 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 -0.80 4.28 0.00 3.14 2.88 -1.26 -4.82 113.62 117.04 1yua n SER 23 Ca -0.14 -3.71 0.00 0.00 -1.33 0.00 0.00 58.87 53.69 1yua n SER 23 Cb 0.53 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 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 -1.06 -1.31 -3.83 -3.46 2.03 -1.26 -4.99 116.55 102.67 1yua n ASP 24 Ca 0.52 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.64 1yua n ASP 24 Cb 1.23 -0.80 0.10 0.00 -0.72 0.00 0.00 41.12 40.93 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yua n ALA 25 N 1.00 -0.13 -3.25 -1.67 0.00 -1.26 -5.02 120.51 110.17 1yua n ALA 25 Ca 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 53.44 51.96 1yua n ALA 25 Cb 0.04 0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 1yua n ALA 25 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1yua n TYR 26 N -2.70 -0.77 -3.75 0.00 4.11 -1.26 -3.25 117.16 109.55 1yua n TYR 26 Ca 0.13 -0.57 -0.35 0.00 -0.00 0.00 0.00 57.90 57.10 1yua n TYR 26 Cb 0.45 0.15 -0.10 0.00 -0.00 0.00 0.00 39.34 39.84 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 -4.85 3.41 -0.54 -3.48 0.08 -1.12 -2.23 117.98 109.25 1yua s PHE 27 Ca 0.07 -2.84 -0.28 0.00 0.12 0.00 0.00 56.93 54.00 1yua s PHE 27 Cb -0.00 -3.13 0.02 0.00 -0.57 0.00 0.00 43.02 39.33 1yua s PHE 27 CO 0.05 -0.80 1.30 0.08 -0.10 0.00 0.00 175.22 175.74 1yua s VAL 28 N -0.29 3.93 0.13 -0.44 1.01 -0.61 -1.75 120.40 122.39 1yua s VAL 28 Ca 0.18 0.84 -0.31 0.00 0.00 0.00 0.00 61.98 62.69 1yua s VAL 28 Cb -0.19 -4.55 -0.10 0.00 0.00 0.00 0.00 36.38 31.54 1yua s VAL 28 CO -0.04 -1.18 1.70 -0.22 0.00 0.00 0.00 175.10 175.35 1yua s LEU 29 N 5.40 4.38 0.00 3.92 2.96 -0.04 -2.97 118.68 132.32 1yua s LEU 29 Ca 0.49 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 57.07 1yua s LEU 29 Cb -0.09 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1yua s LEU 29 CO 0.27 -0.92 0.00 0.54 -1.32 0.00 0.00 176.35 174.92 1yua n ARG 30 N 4.93 2.23 -3.34 1.98 3.00 -0.33 -1.89 116.66 123.23 1yua n ARG 30 Ca 0.16 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.87 1yua n ARG 30 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.77 1yua n ARG 30 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1yua s ASP 31 N 0.52 0.88 0.00 0.55 -4.77 -1.26 -2.41 116.67 110.18 1yua s ASP 31 Ca 0.00 -0.73 0.00 0.00 -3.30 0.00 0.00 52.55 48.52 1yua s ASP 31 Cb 0.00 0.84 0.00 0.00 -1.09 0.00 0.00 42.92 42.67 1yua s ASP 31 CO 0.00 -0.34 0.00 0.61 0.70 0.00 0.00 175.17 176.14 1yua n GLY 32 N 5.12 -1.98 0.11 2.12 0.00 -0.82 -4.90 105.19 104.84 1yua n GLY 32 Ca 0.02 -1.13 0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 4.27 -0.11 4.61 0.00 -1.26 -4.47 120.51 120.54 1yua n ALA 33 Ca 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 53.44 52.67 1yua n ALA 33 Cb 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.15 0.96 -3.00 0.00 0.00 -1.26 -5.10 120.51 110.96 1yua n ALA 34 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1yua n ALA 34 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 1.38 2.69 3.97 0.00 0.00 -1.26 -4.77 105.19 107.20 1yua n GLY 35 Ca -0.36 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.89 3.97 0.02 1.61 -7.23 -1.26 -1.94 120.40 112.68 1yua s VAL 36 Ca 0.00 -0.74 -0.05 0.00 -1.81 0.00 0.00 61.98 59.38 1yua s VAL 36 Cb 0.00 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 33.53 1yua s VAL 36 CO 0.00 -0.23 0.23 2.22 -0.31 0.00 0.00 175.10 177.01 1yua n PHE 37 N -1.89 -0.48 -3.73 2.82 -1.74 -1.01 -4.30 117.46 107.13 1yua n PHE 37 Ca 0.01 -0.20 -0.29 0.00 -0.56 0.00 0.00 57.45 56.41 1yua n PHE 37 Cb 0.58 0.10 -0.16 0.00 1.52 0.00 0.00 39.48 41.52 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 1.73 0.18 5.98 1.02 -1.19 -1.19 118.68 125.21 1yua s LEU 38 Ca 0.05 -1.27 -0.04 0.00 0.02 0.00 0.00 54.13 52.89 1yua s LEU 38 Cb -0.00 -0.74 -0.05 0.00 0.02 0.00 0.00 46.19 45.41 1yua s LEU 38 CO 0.01 -0.36 0.42 0.00 0.02 0.00 0.00 176.35 176.43 1yua s ALA 39 N 1.73 3.75 0.29 4.21 0.00 -1.16 -4.15 121.76 126.44 1yua s ALA 39 Ca 0.05 -0.58 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 1yua s ALA 39 Cb -0.17 -2.16 -0.09 0.00 0.00 0.00 0.00 23.12 20.70 1yua s ALA 39 CO -0.18 0.55 1.05 0.00 0.00 0.00 0.00 175.76 177.18 1yua s ALA 40 N -1.77 3.33 -0.98 0.00 0.00 -1.21 -1.57 121.76 119.56 1yua s ALA 40 Ca 0.42 0.78 0.13 0.00 0.00 0.00 0.00 51.96 53.29 1yua s ALA 40 Cb -0.12 -3.28 0.56 0.00 0.00 0.00 0.00 23.12 20.28 1yua s ALA 40 CO 0.26 -0.07 1.42 0.27 0.00 0.00 0.00 175.76 177.63 1yua n ASN 41 N 1.00 0.03 -0.34 0.00 2.04 -0.95 -1.64 115.26 115.41 1yua n ASN 41 Ca -0.00 0.51 0.14 0.00 -0.44 0.00 0.00 54.58 54.79 1yua n ASN 41 Cb 0.46 -0.51 0.60 0.00 -2.53 0.00 0.00 39.78 37.80 1yua n ASN 41 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1yua n THR 42 N -1.53 0.00 -1.23 5.53 -2.24 -1.26 -4.95 114.28 108.60 1yua n THR 42 Ca 0.03 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 1yua n THR 42 Cb 0.15 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.22 -0.94 1.55 4.78 -0.00 -0.65 -0.62 117.46 121.36 1yua n PHE 43 Ca 0.19 0.77 0.15 0.00 -0.00 0.00 0.00 57.45 58.55 1yua n PHE 43 Cb 0.30 -1.71 0.78 0.00 -0.00 0.00 0.00 39.48 38.86 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 1.00 0.59 0.00 -7.13 -0.04 -1.26 -4.87 135.00 123.30 1yua n PRO 44 Ca 0.14 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1yua n PRO 44 Cb 0.27 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1yua n PRO 44 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1yua n LYS 45 N -1.17 0.00 -2.96 0.54 4.81 0.21 -2.86 118.16 116.72 1yua n LYS 45 Ca 0.16 0.81 -0.44 0.00 -0.87 0.00 0.00 58.31 57.97 1yua n LYS 45 Cb 0.22 -1.38 -0.02 0.00 0.02 0.00 0.00 35.03 33.87 1yua n LYS 45 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1yua s SER 46 N -2.86 6.80 -0.35 3.14 0.15 -1.25 -4.85 113.70 114.48 1yua s SER 46 Ca 0.00 -2.43 -0.02 0.00 0.70 0.00 0.00 55.95 54.19 1yua s SER 46 Cb 0.00 -2.39 0.12 0.00 -1.71 0.00 0.00 66.02 62.04 1yua s SER 46 CO 0.00 -0.92 2.42 0.54 1.20 0.00 0.00 173.24 176.48 1yua n ARG 47 N 6.05 2.05 -1.86 5.44 1.74 -1.14 -3.30 116.66 125.65 1yua n ARG 47 Ca 0.28 -1.83 -0.41 0.00 -0.77 0.00 0.00 57.85 55.12 1yua n ARG 47 Cb 0.47 -1.84 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 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 0.70 3.82 -3.32 5.56 1.02 -1.26 -4.95 120.64 122.21 1yua n GLU 48 Ca 0.38 -3.01 -0.32 0.00 -0.02 0.00 0.00 57.16 54.20 1yua n GLU 48 Cb 0.59 -2.86 -0.05 0.00 -0.02 0.00 0.00 31.44 29.09 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 0.83 4.88 0.00 2.62 -4.23 -1.26 -4.59 115.64 113.90 1yua s THR 49 Ca 0.53 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 1yua s THR 49 Cb 0.15 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1yua s THR 49 CO -0.06 -0.14 0.00 -2.11 -0.54 0.00 0.00 174.62 171.77 1yua n ARG 50 N -0.33 0.00 -1.53 3.99 1.85 -1.26 -4.95 116.66 114.43 1yua n ARG 50 Ca 0.01 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.43 1yua n ARG 50 Cb 0.53 0.00 -0.00 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 -0.84 -0.77 -1.86 2.89 0.00 -1.26 -3.14 120.51 115.52 1yua n ALA 51 Ca 0.00 0.29 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 1yua n ALA 51 Cb 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 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 -1.62 4.57 0.47 0.00 0.04 -1.26 -4.51 135.00 132.69 1yua s PRO 52 Ca 0.62 1.25 -0.22 0.00 0.04 0.00 0.00 61.00 62.69 1yua s PRO 52 Cb -0.66 -2.94 -0.10 0.00 0.04 0.00 0.00 34.50 30.84 1yua s PRO 52 CO 0.58 0.37 0.72 -0.11 0.04 0.00 0.00 177.00 178.60 1yua n LEU 53 N 0.85 1.31 -0.13 -3.56 -0.00 -1.26 -2.28 117.00 111.94 1yua n LEU 53 Ca -0.00 0.90 -0.02 0.00 -0.00 0.00 0.00 56.01 56.89 1yua n LEU 53 Cb 0.50 -1.23 0.22 0.00 -0.00 0.00 0.00 43.42 42.91 1yua n LEU 53 CO 0.45 -2.40 1.03 0.58 -0.00 0.00 0.00 177.39 177.04 1yua h VAL 54 N 0.86 1.21 0.00 1.96 2.07 -1.56 -0.89 116.25 119.90 1yua h VAL 54 Ca -0.43 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.28 1yua h VAL 54 Cb 1.38 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1yua h VAL 54 CO 0.52 0.27 -0.46 1.05 0.02 0.00 0.00 177.57 178.97 1yua h GLU 55 N 0.80 0.00 -0.13 1.57 4.11 -1.84 -2.63 114.58 116.46 1yua h GLU 55 Ca 0.18 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.45 1yua h GLU 55 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1yua h GLU 55 CO -0.01 0.46 -0.60 0.93 0.07 0.00 0.00 179.01 179.86 1yua h GLU 56 N 0.00 0.43 -0.53 1.06 4.39 -1.54 -1.14 114.58 117.25 1yua h GLU 56 Ca -0.00 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.32 1yua h GLU 56 Cb 0.94 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1yua h GLU 56 CO 0.06 0.90 -0.01 1.25 -1.16 0.00 0.00 179.01 180.05 1yua h LEU 57 N 0.32 0.92 -0.75 1.33 7.12 -0.95 -2.54 115.31 120.76 1yua h LEU 57 Ca -0.00 -0.31 -0.13 0.00 0.13 0.00 0.00 57.88 57.56 1yua h LEU 57 Cb 1.13 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 1yua h LEU 57 CO 0.10 1.01 -0.50 0.22 -0.13 0.00 0.00 178.44 179.15 1yua h TYR 58 N 0.81 0.38 -0.88 1.25 5.03 -1.35 -2.04 116.97 120.17 1yua h TYR 58 Ca 0.15 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1yua h TYR 58 Cb 0.55 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.71 1yua h TYR 58 CO 0.04 0.75 0.55 -0.09 -1.32 0.00 0.00 178.16 178.09 1yua h ARG 59 N 0.25 1.18 -0.83 1.82 2.43 -0.89 -1.60 114.38 116.75 1yua h ARG 59 Ca 0.01 -0.09 -0.34 0.00 -0.81 0.00 0.00 59.98 58.75 1yua h ARG 59 Cb 0.97 -0.25 -0.20 0.00 -0.42 0.00 0.00 29.97 30.06 1yua h ARG 59 CO 0.08 0.81 0.42 1.19 -1.51 0.00 0.00 179.97 180.96 1yua n PHE 60 N -4.43 2.64 0.11 2.20 3.01 -0.98 -4.62 117.46 115.38 1yua n PHE 60 Ca 0.09 -1.50 -0.13 0.00 1.01 0.00 0.00 57.45 56.93 1yua n PHE 60 Cb 0.04 -0.79 -0.06 0.00 -0.01 0.00 0.00 39.48 38.66 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 1.87 -0.49 0.00 -1.08 2.43 -0.54 0.16 114.38 116.73 1yua h ARG 61 Ca 0.42 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1yua h ARG 61 Cb 2.53 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 32.19 1yua h ARG 61 CO 0.88 -0.33 0.00 -0.44 -1.51 0.00 0.00 179.97 178.57 1yua h ASP 62 N -0.51 0.00 -0.58 -3.80 5.19 -1.82 -0.84 116.42 114.07 1yua h ASP 62 Ca 0.03 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.15 1yua h ASP 62 Cb 0.54 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 39.88 1yua h ASP 62 CO -0.18 0.00 0.18 -1.14 -3.12 0.00 0.00 179.24 174.98 1yua n ARG 63 N -2.89 2.07 -4.34 3.56 0.63 0.41 -4.99 116.66 111.12 1yua n ARG 63 Ca -0.02 -3.12 -0.25 0.00 -0.92 0.00 0.00 57.85 53.54 1yua n ARG 63 Cb 0.10 -1.95 -0.09 0.00 0.45 0.00 0.00 32.46 30.97 1yua n ARG 63 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1yua s LEU 64 N -3.25 2.98 0.00 6.15 2.34 -0.27 -4.95 118.68 121.69 1yua s LEU 64 Ca 0.49 -1.06 0.00 0.00 0.06 0.00 0.00 54.13 53.62 1yua s LEU 64 Cb 0.43 -1.30 0.00 0.00 -0.56 0.00 0.00 46.19 44.77 1yua s LEU 64 CO 0.04 -0.32 0.00 -0.81 -1.06 0.00 0.00 176.35 174.20 1yua n PRO 65 N -1.00 0.00 0.00 1.48 -0.04 -1.26 -5.03 135.00 129.14 1yua n PRO 65 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1yua n PRO 65 Cb 0.63 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 0.00 0.00 0.00 0.54 2.13 -1.26 -4.94 120.64 117.11 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 1.17 -0.41 0.00 0.00 177.13 177.89 1yua n LYS 67 N -0.22 0.70 0.00 5.31 4.81 -1.26 -2.57 118.16 124.94 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 -1.06 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1yua n LYS 67 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1yua n LEU 68 N -0.39 0.34 0.04 3.14 -0.00 -1.26 -4.83 117.00 114.03 1yua n LEU 68 Ca 0.00 -0.34 -0.11 0.00 -0.00 0.00 0.00 56.01 55.56 1yua n LEU 68 Cb 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.39 1yua n LEU 68 CO 0.00 0.08 0.84 -0.09 -0.00 0.00 0.00 177.39 178.23 1yua h ARG 69 N 0.00 -0.06 -0.70 1.47 1.12 -1.87 -0.14 114.38 114.19 1yua h ARG 69 Ca 0.00 0.00 0.20 0.00 -1.11 0.00 0.00 59.98 59.08 1yua h ARG 69 Cb 0.34 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.29 1yua h ARG 69 CO 0.00 -0.04 0.80 0.10 -3.11 0.00 0.00 179.97 177.72 1yua h TYR 70 N -0.07 0.00 0.17 2.20 -0.00 -1.88 0.73 116.97 118.12 1yua h TYR 70 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.51 1yua h TYR 70 Cb 0.09 0.00 0.03 0.00 0.00 0.00 0.00 36.73 36.85 1yua h TYR 70 CO -0.12 0.00 -1.02 -0.07 -0.00 0.00 0.00 178.16 176.95 1yua h LEU 71 N 0.00 0.61 0.00 0.10 3.38 -1.39 -3.13 115.31 114.88 1yua h LEU 71 Ca 0.33 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1yua h LEU 71 Cb 1.93 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1yua h LEU 71 CO -0.00 1.49 0.00 0.00 0.09 0.00 0.00 178.44 180.02 1yua n ALA 72 N -2.68 1.46 0.07 1.53 0.00 0.25 -1.46 120.51 119.67 1yua n ALA 72 Ca -0.15 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.31 1yua n ALA 72 Cb 0.91 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 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 0.00 -2.72 0.00 5.19 -1.21 -3.39 116.42 114.29 1yua h ASP 73 Ca 0.00 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.96 1yua h ASP 73 Cb 0.16 0.00 0.23 0.00 0.18 0.00 0.00 39.33 39.90 1yua h ASP 73 CO 0.00 0.33 -0.61 0.00 -3.12 0.00 0.00 179.24 175.84 1yua n ALA 74 N -2.29 -3.61 -1.77 3.45 0.00 -0.54 -4.90 120.51 110.85 1yua n ALA 74 Ca -0.05 -1.24 -0.40 0.00 0.00 0.00 0.00 53.44 51.75 1yua n ALA 74 Cb 0.71 -1.73 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.86 4.30 -0.47 0.00 0.04 -1.26 -4.89 135.00 128.86 1yua s PRO 75 Ca 0.62 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.73 1yua s PRO 75 Cb -0.18 -2.97 0.44 0.00 0.04 0.00 0.00 34.50 31.83 1yua s PRO 75 CO 0.66 -0.17 1.48 0.00 0.04 0.00 0.00 177.00 179.01 1yua n GLN 76 N 0.64 3.26 0.00 4.56 10.64 -1.26 -4.55 117.38 130.67 1yua n GLN 76 Ca 0.01 -3.93 0.00 0.00 -1.83 0.00 0.00 57.00 51.25 1yua n GLN 76 Cb 0.44 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.54 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 -0.71 0.00 -3.73 2.61 10.64 -1.26 -2.35 117.38 122.58 1yua n GLN 77 Ca 0.49 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 55.41 1yua n GLN 77 Cb 0.76 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 30.15 1yua n GLN 77 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 1yua s ASP 78 N 0.00 4.71 0.64 2.61 -4.77 -1.26 -4.68 116.67 113.91 1yua s ASP 78 Ca 0.00 -1.18 0.21 0.00 -3.30 0.00 0.00 52.55 48.28 1yua s ASP 78 Cb 0.00 0.41 1.14 0.00 -1.09 0.00 0.00 42.92 43.38 1yua s ASP 78 CO 0.00 -1.16 1.63 -0.65 0.70 0.00 0.00 175.17 175.69 1yua h PRO 79 N 0.64 0.00 0.08 2.11 0.11 -2.02 0.18 132.00 133.10 1yua h PRO 79 Ca -0.35 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.42 1yua h PRO 79 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 1yua h PRO 79 CO 0.54 0.00 -1.88 -1.91 -0.21 0.00 0.00 178.00 174.54 1yua n GLU 80 N -2.71 0.72 0.00 1.05 4.07 -1.26 -4.99 120.64 117.52 1yua n GLU 80 Ca -0.01 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 1yua n GLU 80 Cb 0.54 -1.74 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 1yua n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yua n GLY 81 N 1.83 1.63 0.00 8.31 0.00 0.62 -4.98 105.19 112.60 1yua n GLY 81 Ca -0.26 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -1.33 1.61 2.04 -1.26 -4.83 115.26 111.48 1yua n ASN 82 Ca 0.00 -1.40 0.00 0.00 -0.44 0.00 0.00 54.58 52.74 1yua n ASN 82 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1yua n ASN 82 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1yua n LYS 83 N -0.69 -3.65 -4.22 -3.83 5.02 -1.26 -3.26 118.16 106.27 1yua n LYS 83 Ca 0.08 2.78 -0.25 0.00 -2.02 0.00 0.00 58.31 58.90 1yua n LYS 83 Cb 0.04 -3.32 -0.17 0.00 -0.02 0.00 0.00 35.03 31.56 1yua n LYS 83 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1yua s THR 84 N -4.34 1.05 0.42 -0.18 2.01 -0.99 -1.11 115.64 112.50 1yua s THR 84 Ca 0.00 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.69 1yua s THR 84 Cb 0.00 -1.02 0.05 0.00 0.01 0.00 0.00 72.50 71.55 1yua s THR 84 CO 0.00 0.35 0.45 1.15 -0.69 0.00 0.00 174.62 175.89 1yua n MET 85 N 4.40 0.79 -3.11 4.92 0.00 -1.01 -1.60 117.12 121.52 1yua n MET 85 Ca -0.18 -2.47 -0.29 0.00 0.00 0.00 0.00 57.70 54.77 1yua n MET 85 Cb 0.51 0.05 -0.03 0.00 0.00 0.00 0.00 33.22 33.75 1yua n MET 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1yua s VAL 86 N -1.88 4.93 0.18 3.17 1.01 -0.97 -1.45 120.40 125.40 1yua s VAL 86 Ca 0.34 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1yua s VAL 86 Cb -0.03 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1yua s VAL 86 CO 0.22 -0.45 0.19 0.54 0.00 0.00 0.00 175.10 175.60 1yua n ARG 87 N -1.23 0.28 -3.77 2.72 5.12 0.23 -4.39 116.66 115.62 1yua n ARG 87 Ca -0.00 -1.66 -0.13 0.00 -1.93 0.00 0.00 57.85 54.13 1yua n ARG 87 Cb 0.54 1.45 -0.11 0.00 -1.16 0.00 0.00 32.46 33.18 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 -3.18 -0.31 -0.04 -1.55 5.36 -1.26 -2.26 117.98 114.74 1yua s PHE 88 Ca 0.19 0.75 0.06 0.00 -0.96 0.00 0.00 56.93 56.97 1yua s PHE 88 Cb 0.00 0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.78 1yua s PHE 88 CO 0.13 -0.16 -0.23 -1.12 -1.46 0.00 0.00 175.22 172.38 1yua s SER 89 N 0.07 2.76 0.22 6.13 0.01 -0.92 -4.92 113.70 117.05 1yua s SER 89 Ca -0.01 -0.45 0.23 0.00 1.31 0.00 0.00 55.95 57.03 1yua s SER 89 Cb -0.02 -0.62 0.05 0.00 0.21 0.00 0.00 66.02 65.63 1yua s SER 89 CO 0.01 0.24 1.11 0.03 0.41 0.00 0.00 173.24 175.03 1yua h ARG 90 N 5.95 0.00 -0.11 12.44 3.08 -1.96 0.68 114.38 134.47 1yua h ARG 90 Ca -0.35 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.73 1yua h ARG 90 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 1yua h ARG 90 CO 0.47 0.00 0.14 0.87 -1.07 0.00 0.00 179.97 180.39 1yua h LYS 91 N 0.00 0.00 0.00 0.04 6.56 -1.98 -2.99 116.57 118.20 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 0.98 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.64 1yua h LYS 91 CO 0.00 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.64 1yua n THR 92 N -3.65 0.00 -3.86 -0.16 -2.24 -1.24 -5.04 114.28 98.09 1yua n THR 92 Ca -0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1yua n THR 92 Cb 0.25 0.93 0.02 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.83 -4.28 -0.78 5.02 0.19 -4.96 118.16 112.53 1yua n LYS 93 Ca 0.00 0.39 -0.18 0.00 -2.02 0.00 0.00 58.31 56.50 1yua n LYS 93 Cb 0.49 -3.06 -0.09 0.00 -0.02 0.00 0.00 35.03 32.35 1yua n LYS 93 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1yua s GLN 94 N -6.31 1.64 -0.19 1.97 -0.21 -0.96 -4.97 119.66 110.63 1yua s GLN 94 Ca 0.36 -1.94 -0.06 0.00 0.02 0.00 0.00 55.36 53.75 1yua s GLN 94 Cb -0.18 0.25 -0.03 0.00 1.00 0.00 0.00 33.01 34.06 1yua s GLN 94 CO 0.92 -0.58 0.01 -1.14 -2.12 0.00 0.00 175.29 172.38 1yua s GLN 95 N -3.63 3.73 -0.02 2.91 2.00 -1.26 -2.16 119.66 121.23 1yua s GLN 95 Ca 0.39 -0.47 0.03 0.00 -2.00 0.00 0.00 55.36 53.32 1yua s GLN 95 Cb 0.03 -3.10 -0.00 0.00 0.80 0.00 0.00 33.01 30.74 1yua s GLN 95 CO 0.23 0.12 -0.12 1.52 -0.50 0.00 0.00 175.29 176.54 1yua s TYR 96 N 0.74 1.13 0.55 1.67 -0.85 -0.96 -2.32 117.35 117.31 1yua s TYR 96 Ca 0.01 -0.25 -0.03 0.00 -0.52 0.00 0.00 57.07 56.28 1yua s TYR 96 Cb -0.14 -0.76 0.01 0.00 0.38 0.00 0.00 41.96 41.46 1yua s TYR 96 CO 0.02 -0.06 0.83 0.14 -1.52 0.00 0.00 175.55 174.96 1yua s VAL 97 N -0.10 3.53 -0.17 -3.49 -7.23 0.12 0.77 120.40 113.82 1yua s VAL 97 Ca 0.01 -0.25 -0.06 0.00 -1.81 0.00 0.00 61.98 59.87 1yua s VAL 97 Cb -0.07 -3.37 0.08 0.00 0.56 0.00 0.00 36.38 33.58 1yua s VAL 97 CO 0.00 -0.33 0.36 -0.44 -0.31 0.00 0.00 175.10 174.38 1yua s SER 98 N -4.31 -0.03 -0.13 4.85 0.01 -0.53 0.11 113.70 113.66 1yua s SER 98 Ca 0.53 0.83 -0.29 0.00 1.31 0.00 0.00 55.95 58.33 1yua s SER 98 Cb -0.10 1.08 -0.01 0.00 0.21 0.00 0.00 66.02 67.19 1yua s SER 98 CO 0.42 -0.23 1.12 -0.44 0.41 0.00 0.00 173.24 174.52 1yua s SER 99 N 2.49 7.10 -0.13 2.44 0.01 -0.90 -2.40 113.70 122.31 1yua s SER 99 Ca -0.01 1.60 0.01 0.00 1.31 0.00 0.00 55.95 58.87 1yua s SER 99 Cb -0.12 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.58 1yua s SER 99 CO -0.11 -0.60 -0.16 -0.70 0.41 0.00 0.00 173.24 172.08 1yua s GLU 100 N 2.66 2.34 0.00 12.44 2.12 -0.27 -3.62 118.70 134.37 1yua s GLU 100 Ca 0.51 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.24 1yua s GLU 100 Cb -0.20 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.15 1yua s GLU 100 CO 0.15 -0.13 0.00 1.17 -0.54 0.00 0.00 175.26 175.91 1yua n LYS 101 N 4.43 -0.29 0.33 4.30 4.81 -1.25 -4.40 118.16 126.09 1yua n LYS 101 Ca -0.18 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.39 1yua n LYS 101 Cb 0.51 0.00 0.73 0.00 0.02 0.00 0.00 35.03 36.29 1yua n LYS 101 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1yua h ASP 102 N -0.85 0.00 0.00 3.14 1.82 -1.95 -3.38 116.42 115.20 1yua h ASP 102 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1yua h ASP 102 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1yua h ASP 102 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1yua n GLY 103 N -1.25 -0.78 0.00 -0.78 0.00 -1.26 -5.04 105.19 96.08 1yua n GLY 103 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.61 1.61 2.85 -1.26 -5.05 118.16 112.69 1yua n LYS 104 Ca 0.00 -0.41 -0.25 0.00 -1.05 0.00 0.00 58.31 56.60 1yua n LYS 104 Cb 0.00 -0.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.89 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 -2.66 -0.37 0.58 0.00 -1.26 -4.67 120.51 112.12 1yua n ALA 105 Ca 0.00 -0.04 0.38 0.00 0.00 0.00 0.00 53.44 53.78 1yua n ALA 105 Cb 0.46 -1.29 0.72 0.00 0.00 0.00 0.00 19.45 19.34 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 0.46 0.21 0.00 0.00 1.35 -1.90 -3.44 112.91 109.59 1yua h THR 106 Ca -0.53 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1yua h THR 106 Cb 1.35 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1yua h THR 106 CO 0.32 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 1yua n GLY 107 N -1.78 1.06 3.76 5.82 0.00 -1.26 -5.03 105.19 107.77 1yua n GLY 107 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.31 2.85 -3.18 1.61 -0.00 -1.25 -4.40 117.44 111.77 1yua n TRP 108 Ca 0.00 0.44 0.02 0.00 -0.00 0.00 0.00 57.50 57.96 1yua n TRP 108 Cb 0.00 -2.52 -0.01 0.00 -0.00 0.00 0.00 31.31 28.78 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 -0.08 -1.27 0.30 5.87 1.04 -1.25 -2.11 113.70 116.20 1yua s SER 109 Ca 0.55 0.11 -0.09 0.00 0.48 0.00 0.00 55.95 57.00 1yua s SER 109 Cb -0.50 1.87 -0.06 0.00 0.10 0.00 0.00 66.02 67.43 1yua s SER 109 CO 0.62 -0.31 0.63 0.00 0.98 0.00 0.00 173.24 175.15 1yua s ALA 110 N 2.78 3.50 -0.05 5.32 0.00 0.12 -2.09 121.76 131.34 1yua s ALA 110 Ca 0.10 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.81 1yua s ALA 110 Cb -0.11 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.51 1yua s ALA 110 CO -0.27 0.27 -0.25 -0.06 0.00 0.00 0.00 175.76 175.45 1yua s PHE 111 N -2.06 2.39 -0.58 0.00 0.40 -0.68 0.11 117.98 117.56 1yua s PHE 111 Ca 0.48 -0.63 -0.22 0.00 -0.60 0.00 0.00 56.93 55.95 1yua s PHE 111 Cb -0.11 -1.56 0.06 0.00 0.51 0.00 0.00 43.02 41.92 1yua s PHE 111 CO 0.26 -0.16 0.88 -0.47 0.70 0.00 0.00 175.22 176.43 1yua s TYR 112 N -0.30 2.81 0.00 0.36 5.04 -0.98 0.48 117.35 124.76 1yua s TYR 112 Ca 0.01 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 1yua s TYR 112 Cb -0.13 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.16 1yua s TYR 112 CO 0.02 -1.37 0.00 0.28 -1.34 0.00 0.00 175.55 173.14 1yua n VAL 113 N 5.98 0.00 -2.01 3.14 0.31 -0.92 -4.73 118.33 120.10 1yua n VAL 113 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.05 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 4.96 -0.96 4.52 2.15 -1.26 -2.86 116.67 122.22 1yua s ASP 114 Ca 0.00 -1.01 0.00 0.00 0.43 0.00 0.00 52.55 51.97 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 -3.02 0.00 0.61 -0.17 0.00 0.00 175.17 172.59 1yua n GLY 115 N 6.44 -0.01 2.48 2.66 0.00 -1.26 -4.82 105.19 110.68 1yua n GLY 115 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 1yua n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yua n LYS 116 N -2.41 2.43 -0.86 1.61 4.01 -1.13 -5.09 118.16 116.71 1yua n LYS 116 Ca -0.12 -4.53 -0.34 0.00 -0.51 0.00 0.00 58.31 52.81 1yua n LYS 116 Cb 0.51 -2.13 0.09 0.00 -0.51 0.00 0.00 35.03 32.99 1yua n LYS 116 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 1yua n TRP 117 N 0.69 -2.64 -4.04 2.13 7.02 -1.25 -2.16 117.44 117.19 1yua n TRP 117 Ca 0.29 0.17 -0.12 0.00 -1.02 0.00 0.00 57.50 56.82 1yua n TRP 117 Cb 0.43 -1.61 -0.04 0.00 -2.42 0.00 0.00 31.31 27.66 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 -2.22 0.00 -0.35 -0.99 -7.23 0.18 -4.74 120.40 105.05 1yua s VAL 118 Ca 0.50 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 1yua s VAL 118 Cb -0.16 -2.49 0.11 0.00 0.56 0.00 0.00 36.38 34.39 1yua s VAL 118 CO 0.72 0.00 0.14 -1.61 -0.31 0.00 0.00 175.10 174.04 1yua s GLU 119 N -3.41 0.88 -0.44 4.82 8.01 -1.26 -1.68 118.70 125.62 1yua s GLU 119 Ca 0.27 -1.36 -0.18 0.00 0.01 0.00 0.00 54.97 53.71 1yua s GLU 119 Cb -0.00 -2.10 0.03 0.00 -4.31 0.00 0.00 34.13 27.74 1yua s GLU 119 CO 0.15 -1.04 0.51 0.20 0.01 0.00 0.00 175.26 175.09 1yua s GLY 120 N 1.24 1.84 0.13 -1.39 0.00 -0.89 -4.98 107.32 103.27 1yua s GLY 120 Ca 0.12 -1.50 -0.21 0.00 0.00 0.00 0.00 44.72 43.13 1yua s GLY 120 CO -0.17 1.29 0.66 0.54 0.00 0.00 0.00 173.10 175.42 1yua s LYS 121 N 2.35 4.33 0.00 2.90 1.02 -1.26 -3.95 119.74 125.12 1yua s LYS 121 Ca 0.15 0.90 0.30 0.00 0.02 0.00 0.00 55.97 57.33 1yua s LYS 121 Cb -0.17 -3.20 1.48 0.00 -0.52 0.00 0.00 37.83 35.43 1yua s LYS 121 CO 0.14 0.58 1.99 0.36 -0.92 0.00 0.00 175.35 177.50