#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 1.20 -3.57 7.83 2.85 -1.26 -4.86 115.26 117.46 1yua n ASN 2 Ca 0.00 0.53 -0.11 0.00 -0.11 0.00 0.00 54.58 54.90 1yua n ASN 2 Cb 0.00 -1.03 -0.03 0.00 1.24 0.00 0.00 39.78 39.96 1yua n ASN 2 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1yua s GLY 3 N 6.77 -0.39 -0.03 8.20 0.00 -1.26 -5.05 107.32 115.55 1yua s GLY 3 Ca 1.17 0.16 0.05 0.00 0.00 0.00 0.00 44.72 46.11 1yua s GLY 3 CO 0.58 -0.04 0.97 -2.21 0.00 0.00 0.00 173.10 172.41 1yua n GLU 4 N -0.35 0.54 -0.04 2.90 2.13 -1.26 -5.11 120.64 119.46 1yua n GLU 4 Ca -0.14 -1.39 0.00 0.00 0.66 0.00 0.00 57.16 56.29 1yua n GLU 4 Cb 0.64 -0.80 0.00 0.00 0.27 0.00 0.00 31.44 31.55 1yua n GLU 4 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1yua n VAL 5 N -0.42 -1.10 -3.44 6.31 0.31 -1.26 -4.88 118.33 113.85 1yua n VAL 5 Ca 0.04 0.05 -0.26 0.00 -0.01 0.00 0.00 64.34 64.17 1yua n VAL 5 Cb 0.63 -0.67 0.02 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.68 -2.59 -1.69 3.52 0.00 -1.26 -4.87 120.51 112.93 1yua n ALA 6 Ca 0.00 0.25 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1yua n ALA 6 Cb 0.00 -1.95 0.01 0.00 0.00 0.00 0.00 19.45 17.51 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 -3.29 3.28 0.60 0.00 0.04 -1.26 -4.88 135.00 129.49 1yua s PRO 7 Ca 0.21 1.45 0.28 0.00 0.04 0.00 0.00 61.00 62.98 1yua s PRO 7 Cb -0.03 -2.01 1.39 0.00 0.04 0.00 0.00 34.50 33.89 1yua s PRO 7 CO 0.85 -0.88 1.80 -1.35 0.04 0.00 0.00 177.00 177.47 1yua h PRO 8 N 0.85 0.00 -6.63 0.56 0.11 -2.01 -3.40 132.00 121.48 1yua h PRO 8 Ca -0.49 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 1yua h PRO 8 Cb 1.24 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.39 1yua h PRO 8 CO 0.57 0.00 0.75 0.21 -0.21 0.00 0.00 178.00 179.32 1yua s LYS 9 N -4.52 4.30 0.00 1.05 2.47 -1.26 -4.94 119.74 116.84 1yua s LYS 9 Ca -0.04 2.18 0.00 0.00 -1.56 0.00 0.00 55.97 56.55 1yua s LYS 9 Cb 0.14 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 33.32 1yua s LYS 9 CO 0.50 -0.43 0.00 0.39 0.16 0.00 0.00 175.35 175.96 1yua n GLU 10 N 3.37 0.00 -3.38 4.03 1.02 -1.26 -5.08 120.64 119.33 1yua n GLU 10 Ca 0.10 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.98 1yua n GLU 10 Cb 0.41 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.75 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 3.12 0.00 1.62 5.68 -1.26 -4.97 116.55 120.74 1yua n ASP 11 Ca 0.00 -3.31 0.00 0.00 -0.50 0.00 0.00 54.79 50.98 1yua n ASP 11 Cb 0.00 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.32 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1yua n PRO 12 N 0.95 0.00 -3.53 0.11 -0.04 -1.26 -4.72 135.00 126.52 1yua n PRO 12 Ca 0.28 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.42 1yua n PRO 12 Cb 0.43 -0.08 -0.07 0.00 -0.04 0.00 0.00 33.50 33.74 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 2.91 -2.31 0.52 0.31 -1.08 -5.04 118.33 113.63 1yua n VAL 13 Ca 0.00 -5.23 -0.41 0.00 -0.01 0.00 0.00 64.34 58.69 1yua n VAL 13 Cb 0.00 -2.21 -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 -1.96 4.48 -0.43 5.55 0.04 -1.26 0.43 135.00 141.84 1yua s PRO 14 Ca 0.32 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.38 1yua s PRO 14 Cb 0.02 -3.18 0.42 0.00 0.04 0.00 0.00 34.50 31.81 1yua s PRO 14 CO -0.06 -0.07 1.11 1.28 0.04 0.00 0.00 177.00 179.29 1yua n LEU 15 N 1.81 4.61 -0.15 -3.56 4.77 -0.73 -4.78 117.00 118.97 1yua n LEU 15 Ca 0.02 -5.17 0.21 0.00 -0.03 0.00 0.00 56.01 51.04 1yua n LEU 15 Cb 0.44 -0.43 0.32 0.00 -2.33 0.00 0.00 43.42 41.42 1yua n LEU 15 CO 0.56 2.22 0.98 -2.65 -1.33 0.00 0.00 177.39 177.17 1yua n PRO 16 N -0.47 0.01 0.00 3.23 -0.02 -1.26 0.74 135.00 137.23 1yua n PRO 16 Ca 0.38 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 1yua n PRO 16 Cb 0.67 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1yua n PRO 16 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1yua n GLU 17 N -2.78 0.93 -3.41 -0.52 4.71 -1.26 -4.31 120.64 114.00 1yua n GLU 17 Ca 0.17 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 57.07 1yua n GLU 17 Cb 1.19 -1.36 -0.10 0.00 -1.01 0.00 0.00 31.44 30.16 1yua n GLU 17 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1yua s LEU 18 N 0.00 0.72 0.57 -4.62 0.20 0.23 -5.04 118.68 110.73 1yua s LEU 18 Ca 0.00 -2.17 -0.18 0.00 0.69 0.00 0.00 54.13 52.47 1yua s LEU 18 Cb 0.00 -0.11 -0.10 0.00 -0.43 0.00 0.00 46.19 45.56 1yua s LEU 18 CO 0.00 -0.27 0.40 -2.65 -0.29 0.00 0.00 176.35 173.54 1yua n PRO 19 N 3.87 0.41 0.00 0.98 -0.02 -1.26 -0.38 135.00 138.59 1yua n PRO 19 Ca 0.15 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1yua n PRO 19 Cb 0.41 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.00 0.00 0.00 0.00 2.13 -1.26 -5.02 120.64 116.49 1yua n GLU 21 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1yua n GLU 21 Cb 0.00 -0.38 0.00 0.00 0.27 0.00 0.00 31.44 31.33 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 -2.45 0.00 -0.20 5.31 4.76 -1.26 -4.99 118.16 119.32 1yua n LYS 22 Ca 0.00 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.53 1yua n LYS 22 Cb 0.00 0.00 0.16 0.00 -1.84 0.00 0.00 35.03 33.35 1yua n LYS 22 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1yua n SER 23 N 0.00 2.40 -0.06 4.39 2.88 -1.26 -4.91 113.62 117.06 1yua n SER 23 Ca 0.00 -3.23 -0.01 0.00 -1.33 0.00 0.00 58.87 54.31 1yua n SER 23 Cb 0.00 -0.46 -0.00 0.00 -0.75 0.00 0.00 64.21 63.00 1yua n SER 23 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1yua n ASP 24 N -1.30 -3.09 -4.91 -3.46 8.00 -1.26 -5.03 116.55 105.49 1yua n ASP 24 Ca 0.17 0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.49 1yua n ASP 24 Cb 0.68 -0.66 0.07 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.03 4.33 0.24 2.24 0.00 -1.26 -5.01 121.76 120.27 1yua s ALA 25 Ca 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.02 1yua s ALA 25 Cb 0.00 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.44 1yua s ALA 25 CO 0.00 -0.98 0.35 2.48 0.00 0.00 0.00 175.76 177.61 1yua n TYR 26 N -2.39 -1.19 -3.30 0.00 4.11 -1.26 -2.28 117.16 110.85 1yua n TYR 26 Ca 0.14 -1.56 -0.47 0.00 -0.00 0.00 0.00 57.90 56.02 1yua n TYR 26 Cb 0.61 0.39 -0.03 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 -3.68 3.57 -0.68 -3.48 0.40 0.49 -1.53 117.98 113.06 1yua s PHE 27 Ca 0.19 -1.73 -0.27 0.00 -0.60 0.00 0.00 56.93 54.52 1yua s PHE 27 Cb -0.01 -3.84 0.04 0.00 0.51 0.00 0.00 43.02 39.72 1yua s PHE 27 CO 0.14 -1.03 1.20 0.08 0.70 0.00 0.00 175.22 176.31 1yua s VAL 28 N 0.76 3.90 0.08 -0.44 1.01 -0.71 -1.78 120.40 123.21 1yua s VAL 28 Ca 0.14 0.42 -0.34 0.00 0.00 0.00 0.00 61.98 62.20 1yua s VAL 28 Cb -0.16 -4.82 -0.13 0.00 0.00 0.00 0.00 36.38 31.26 1yua s VAL 28 CO -0.05 -1.65 1.68 -0.11 0.00 0.00 0.00 175.10 174.97 1yua n LEU 29 N 8.84 3.19 0.00 3.92 7.94 0.17 -3.34 117.00 137.72 1yua n LEU 29 Ca 0.03 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 1yua n LEU 29 Cb 0.48 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1yua n LEU 29 CO 0.70 -0.22 0.00 0.54 -1.11 0.00 0.00 177.39 177.30 1yua n ARG 30 N 4.49 0.78 -3.46 1.96 1.74 -0.38 -2.65 116.66 119.13 1yua n ARG 30 Ca 0.19 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.10 1yua n ARG 30 Cb 0.29 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.61 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 -0.90 1.32 -0.00 0.55 -4.77 -1.26 -2.38 116.67 109.22 1yua s ASP 31 Ca 0.00 -0.26 0.00 0.00 -3.30 0.00 0.00 52.55 48.99 1yua s ASP 31 Cb 0.00 0.48 0.00 0.00 -1.09 0.00 0.00 42.92 42.31 1yua s ASP 31 CO 0.00 -0.33 0.13 0.61 0.70 0.00 0.00 175.17 176.28 1yua n GLY 32 N 5.32 -0.63 2.20 2.12 0.00 -1.19 -5.01 105.19 108.01 1yua n GLY 32 Ca -0.05 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.00 2.38 -1.09 4.61 0.00 -1.26 -4.87 120.51 120.28 1yua n ALA 33 Ca -0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 53.44 49.96 1yua n ALA 33 Cb 0.32 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 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 1.09 -0.05 0.00 0.00 0.00 -1.26 -4.53 120.51 115.76 1yua n ALA 34 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1yua n ALA 34 Cb 0.56 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.18 -0.51 3.61 0.00 0.00 -1.26 -4.86 105.19 101.98 1yua n GLY 35 Ca -0.03 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.35 -0.00 1.61 -7.23 -1.26 -3.19 120.40 112.68 1yua s VAL 36 Ca 0.00 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 1yua s VAL 36 Cb 0.00 -2.80 0.01 0.00 0.56 0.00 0.00 36.38 34.15 1yua s VAL 36 CO 0.00 -0.15 0.17 2.22 -0.31 0.00 0.00 175.10 177.03 1yua n PHE 37 N -0.93 -0.19 -3.58 2.82 -1.74 -1.00 -4.02 117.46 108.83 1yua n PHE 37 Ca -0.04 -0.09 -0.29 0.00 -0.56 0.00 0.00 57.45 56.46 1yua n PHE 37 Cb 0.64 0.04 -0.15 0.00 1.52 0.00 0.00 39.48 41.53 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 0.77 0.38 5.98 1.02 -1.02 -1.25 118.68 124.55 1yua s LEU 38 Ca 0.04 -1.27 -0.05 0.00 0.02 0.00 0.00 54.13 52.87 1yua s LEU 38 Cb -0.00 -0.42 -0.05 0.00 0.02 0.00 0.00 46.19 45.75 1yua s LEU 38 CO -0.00 -0.43 0.66 0.00 0.02 0.00 0.00 176.35 176.60 1yua s ALA 39 N 2.03 3.52 0.28 4.21 0.00 -1.21 -4.06 121.76 126.53 1yua s ALA 39 Ca 0.08 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 1yua s ALA 39 Cb -0.16 -2.42 -0.10 0.00 0.00 0.00 0.00 23.12 20.44 1yua s ALA 39 CO -0.32 -0.02 1.12 0.00 0.00 0.00 0.00 175.76 176.53 1yua s ALA 40 N -2.37 3.41 -1.46 0.00 0.00 -1.23 -1.75 121.76 118.36 1yua s ALA 40 Ca 0.45 0.92 0.16 0.00 0.00 0.00 0.00 51.96 53.49 1yua s ALA 40 Cb -0.10 -3.34 0.80 0.00 0.00 0.00 0.00 23.12 20.47 1yua s ALA 40 CO 0.36 -0.20 1.44 -1.71 0.00 0.00 0.00 175.76 175.64 1yua n ASN 41 N 1.22 0.00 -0.81 0.00 4.05 -0.58 -1.69 115.26 117.45 1yua n ASN 41 Ca -0.01 0.03 0.12 0.00 0.45 0.00 0.00 54.58 55.18 1yua n ASN 41 Cb 0.45 -0.27 0.21 0.00 1.23 0.00 0.00 39.78 41.40 1yua n ASN 41 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1yua n THR 42 N -1.27 0.00 -1.24 -0.44 -2.24 -1.26 -4.96 114.28 102.87 1yua n THR 42 Ca 0.08 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 1yua n THR 42 Cb 0.12 1.22 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 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 0.97 -1.35 1.28 4.78 -0.00 -0.68 -0.93 117.46 121.53 1yua n PHE 43 Ca 0.15 0.71 0.14 0.00 -0.00 0.00 0.00 57.45 58.45 1yua n PHE 43 Cb 0.53 -1.72 0.70 0.00 -0.00 0.00 0.00 39.48 38.99 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 1.12 0.31 -0.45 -7.13 -0.04 -1.26 -4.80 135.00 122.75 1yua n PRO 44 Ca 0.13 0.01 0.41 0.00 -0.04 0.00 0.00 63.50 64.01 1yua n PRO 44 Cb 0.31 -1.50 0.68 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 0.00 0.00 -3.07 0.54 3.64 -1.42 -3.17 116.57 113.08 1yua h LYS 45 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 1yua h LYS 45 Cb 0.33 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.75 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 -3.99 3.54 0.00 4.20 0.01 -1.25 -4.96 113.70 111.24 1yua s SER 46 Ca -0.04 -1.30 0.11 0.00 1.31 0.00 0.00 55.95 56.03 1yua s SER 46 Cb 0.21 -0.50 0.32 0.00 0.21 0.00 0.00 66.02 66.26 1yua s SER 46 CO 0.72 -0.42 1.27 0.54 0.41 0.00 0.00 173.24 175.76 1yua n ARG 47 N 5.13 1.82 -1.55 12.44 1.74 -1.20 -3.54 116.66 131.50 1yua n ARG 47 Ca -0.05 -1.28 -0.14 0.00 -0.77 0.00 0.00 57.85 55.61 1yua n ARG 47 Cb 0.43 -1.28 -0.09 0.00 -1.02 0.00 0.00 32.46 30.51 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 0.54 0.49 -4.27 5.56 1.02 -1.26 -4.87 120.64 117.86 1yua n GLU 48 Ca 0.12 -0.81 -0.22 0.00 -0.02 0.00 0.00 57.16 56.23 1yua n GLU 48 Cb 0.30 -3.47 -0.12 0.00 -0.02 0.00 0.00 31.44 28.13 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 13.64 1.58 0.00 2.62 -4.23 -1.26 -3.88 115.64 124.11 1yua s THR 49 Ca 0.96 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1yua s THR 49 Cb -0.19 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.14 1yua s THR 49 CO 0.13 -0.17 0.00 -2.11 -0.54 0.00 0.00 174.62 171.93 1yua n ARG 50 N 0.94 0.00 -1.09 3.99 1.85 -1.26 -4.91 116.66 116.18 1yua n ARG 50 Ca -0.18 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.30 1yua n ARG 50 Cb 0.55 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 32.01 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 -0.88 -3.58 -2.31 2.89 0.00 -1.26 -2.44 120.51 112.92 1yua n ALA 51 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.61 1yua n ALA 51 Cb 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 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 -2.18 4.67 -0.02 0.00 0.04 -1.26 -4.52 135.00 131.74 1yua s PRO 52 Ca 0.52 1.41 -0.32 0.00 0.04 0.00 0.00 61.00 62.66 1yua s PRO 52 Cb -0.30 -3.38 -0.10 0.00 0.04 0.00 0.00 34.50 30.76 1yua s PRO 52 CO 0.71 0.20 1.94 -0.11 0.04 0.00 0.00 177.00 179.78 1yua n LEU 53 N 2.87 3.86 -0.29 -3.56 -0.00 -1.26 -2.25 117.00 116.37 1yua n LEU 53 Ca 0.02 0.92 0.10 0.00 -0.00 0.00 0.00 56.01 57.06 1yua n LEU 53 Cb 0.49 -1.46 0.24 0.00 -0.00 0.00 0.00 43.42 42.70 1yua n LEU 53 CO 0.51 0.09 0.90 0.58 -0.00 0.00 0.00 177.39 179.47 1yua h VAL 54 N 5.59 0.32 -0.16 1.96 2.07 -1.67 0.21 116.25 124.57 1yua h VAL 54 Ca -0.49 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1yua h VAL 54 Cb 1.25 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1yua h VAL 54 CO 0.94 0.03 -0.02 1.05 0.02 0.00 0.00 177.57 179.60 1yua h GLU 55 N 0.17 0.03 0.00 1.57 4.11 -1.80 0.11 114.58 118.77 1yua h GLU 55 Ca 0.51 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.92 1yua h GLU 55 Cb 0.98 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1yua h GLU 55 CO -0.66 0.02 -0.04 0.93 0.07 0.00 0.00 179.01 179.32 1yua h GLU 56 N 0.03 0.00 -0.21 1.06 5.08 -1.07 -1.60 114.58 117.88 1yua h GLU 56 Ca 0.08 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 1yua h GLU 56 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1yua h GLU 56 CO -0.15 0.04 -0.56 1.25 -1.00 0.00 0.00 179.01 178.60 1yua h LEU 57 N 0.00 0.85 -0.89 1.33 6.46 0.15 -1.79 115.31 121.41 1yua h LEU 57 Ca -0.00 -0.58 -0.00 0.00 -0.12 0.00 0.00 57.88 57.18 1yua h LEU 57 Cb 0.16 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 39.80 1yua h LEU 57 CO 0.01 1.27 0.55 0.22 -0.62 0.00 0.00 178.44 179.86 1yua h TYR 58 N 0.46 1.17 0.00 1.25 5.03 -0.20 0.16 116.97 124.85 1yua h TYR 58 Ca -0.01 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 1yua h TYR 58 Cb 1.17 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 1yua h TYR 58 CO 0.09 0.77 -0.30 -0.09 -1.32 0.00 0.00 178.16 177.32 1yua h ARG 59 N 1.23 0.00 -0.55 1.82 2.43 -1.40 -2.34 114.38 115.57 1yua h ARG 59 Ca 0.32 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 1yua h ARG 59 Cb -0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1yua h ARG 59 CO -0.06 0.30 0.04 1.19 -1.51 0.00 0.00 179.97 179.93 1yua n PHE 60 N -3.70 1.96 -0.27 2.20 3.72 -0.17 -4.49 117.46 116.71 1yua n PHE 60 Ca -0.01 -0.84 -0.06 0.00 -0.05 0.00 0.00 57.45 56.49 1yua n PHE 60 Cb 0.40 -0.51 0.06 0.00 -0.94 0.00 0.00 39.48 38.49 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 3.40 1.11 -0.06 -1.08 9.65 -0.18 0.38 114.38 127.60 1yua h ARG 61 Ca 0.05 -0.20 0.02 0.00 -1.10 0.00 0.00 59.98 58.74 1yua h ARG 61 Cb 1.96 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 30.35 1yua h ARG 61 CO 0.49 0.91 0.10 -0.44 2.80 0.00 0.00 179.97 183.84 1yua h ASP 62 N 1.07 0.00 -0.00 -3.80 5.19 -1.81 -0.14 116.42 116.93 1yua h ASP 62 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1yua h ASP 62 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1yua h ASP 62 CO -0.02 0.00 -0.64 0.54 -3.12 0.00 0.00 179.24 176.00 1yua n ARG 63 N -3.53 2.32 -1.48 3.56 1.74 -0.50 -5.00 116.66 113.76 1yua n ARG 63 Ca -0.01 -0.05 -0.50 0.00 -0.77 0.00 0.00 57.85 56.52 1yua n ARG 63 Cb 0.19 -1.17 -0.04 0.00 -1.02 0.00 0.00 32.46 30.43 1yua n ARG 63 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1yua n LEU 64 N -1.25 -0.06 -0.21 0.55 0.00 0.12 -4.76 117.00 111.39 1yua n LEU 64 Ca 0.03 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.18 1yua n LEU 64 Cb 0.23 -1.04 0.00 0.00 0.00 0.00 0.00 43.42 42.61 1yua n LEU 64 CO 0.28 -2.23 0.35 -0.81 0.00 0.00 0.00 177.39 174.98 1yua n PRO 65 N 1.22 0.89 0.00 1.96 -0.04 -1.26 -4.86 135.00 132.91 1yua n PRO 65 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1yua n PRO 65 Cb 0.22 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.26 0.00 0.00 0.54 0.00 -1.26 -4.68 120.64 114.97 1yua n GLU 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1yua n GLU 66 Cb 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 31.44 31.28 1yua n GLU 66 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1yua n LYS 67 N 0.00 0.81 0.00 5.31 2.85 -1.26 -2.60 118.16 123.27 1yua n LYS 67 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1yua n LYS 67 Cb 0.00 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 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 -0.23 0.65 -0.35 -5.58 4.32 -1.26 -4.76 117.00 109.78 1yua n LEU 68 Ca 0.00 -0.72 0.33 0.00 -0.02 0.00 0.00 56.01 55.60 1yua n LEU 68 Cb 0.09 0.00 0.60 0.00 -1.62 0.00 0.00 43.42 42.49 1yua n LEU 68 CO 0.00 0.16 1.10 -0.09 -1.22 0.00 0.00 177.39 177.34 1yua h ARG 69 N 0.00 0.02 0.04 3.23 9.65 -1.90 0.44 114.38 125.86 1yua h ARG 69 Ca 0.00 -0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.70 1yua h ARG 69 Cb 0.09 -0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.68 1yua h ARG 69 CO 0.00 0.01 -0.73 0.10 2.80 0.00 0.00 179.97 182.15 1yua h TYR 70 N 0.02 0.66 0.82 2.20 -0.00 -1.86 -1.55 116.97 117.27 1yua h TYR 70 Ca 0.85 -0.39 -0.04 0.00 0.00 0.00 0.00 58.73 59.15 1yua h TYR 70 Cb 2.34 -0.06 0.01 0.00 0.00 0.00 0.00 36.73 39.02 1yua h TYR 70 CO -0.01 1.23 -0.39 -0.07 -0.00 0.00 0.00 178.16 178.91 1yua h LEU 71 N -0.09 -0.93 -2.19 0.10 3.38 -0.53 -1.04 115.31 114.01 1yua h LEU 71 Ca -0.10 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1yua h LEU 71 Cb 1.46 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 1yua h LEU 71 CO 0.14 -0.65 0.11 0.00 0.09 0.00 0.00 178.44 178.14 1yua h ALA 72 N -1.45 1.88 -0.39 1.53 0.00 -1.18 -0.56 119.26 119.10 1yua h ALA 72 Ca -0.11 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1yua h ALA 72 Cb 0.85 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1yua h ALA 72 CO 0.19 -0.18 -0.20 -0.44 0.00 0.00 0.00 179.25 178.62 1yua h ASP 73 N 0.00 0.76 -3.26 0.00 3.32 -0.74 -3.43 116.42 113.08 1yua h ASP 73 Ca 0.06 -0.27 -0.54 0.00 0.02 0.00 0.00 57.03 56.31 1yua h ASP 73 Cb 0.28 -0.21 0.21 0.00 0.22 0.00 0.00 39.33 39.83 1yua h ASP 73 CO -0.00 0.95 -0.64 0.00 -1.72 0.00 0.00 179.24 177.83 1yua n ALA 74 N -2.50 -2.61 -0.79 3.45 0.00 -0.22 -4.88 120.51 112.96 1yua n ALA 74 Ca 0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 53.44 52.57 1yua n ALA 74 Cb 0.42 -1.76 0.12 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.18 -0.69 -1.51 0.00 -0.02 -1.26 -4.88 135.00 125.45 1yua n PRO 75 Ca 0.07 -0.18 -0.05 0.00 -2.02 0.00 0.00 63.50 61.32 1yua n PRO 75 Cb 0.53 -1.66 0.10 0.00 -0.02 0.00 0.00 33.50 32.45 1yua n PRO 75 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1yua n GLN 76 N -1.12 2.08 -3.80 -0.52 3.00 -1.26 -4.67 117.38 111.10 1yua n GLN 76 Ca 0.03 -3.45 0.00 0.00 -0.01 0.00 0.00 57.00 53.57 1yua n GLN 76 Cb 0.58 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1yua n GLN 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yua n GLN 77 N -0.68 -2.38 -4.65 -1.09 10.64 -1.26 -2.48 117.38 115.48 1yua n GLN 77 Ca 0.24 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 55.11 1yua n GLN 77 Cb 0.87 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 30.17 1yua n GLN 77 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1yua s ASP 78 N -2.84 3.55 0.60 2.61 2.15 -0.96 -4.53 116.67 117.26 1yua s ASP 78 Ca 0.00 -1.68 0.29 0.00 0.43 0.00 0.00 52.55 51.58 1yua s ASP 78 Cb 0.00 0.55 1.49 0.00 -0.30 0.00 0.00 42.92 44.66 1yua s ASP 78 CO 0.00 -0.91 1.89 -0.65 -0.17 0.00 0.00 175.17 175.33 1yua h PRO 79 N 1.53 0.00 0.00 4.34 0.11 -2.02 0.20 132.00 136.16 1yua h PRO 79 Ca -0.40 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.47 1yua h PRO 79 Cb 1.30 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 1yua h PRO 79 CO 0.66 0.00 -1.57 1.49 -0.21 0.00 0.00 178.00 178.36 1yua h GLU 80 N 0.00 0.00 0.00 1.05 4.57 -2.03 -3.48 114.58 114.69 1yua h GLU 80 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1yua h GLU 80 Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1yua h GLU 80 CO -0.00 0.42 0.00 0.41 -1.18 0.00 0.00 179.01 178.66 1yua n GLY 81 N 1.49 1.16 3.50 1.92 0.00 0.71 -5.04 105.19 108.93 1yua n GLY 81 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.18 -4.22 1.61 0.23 -1.26 -4.17 115.26 107.26 1yua n ASN 82 Ca 0.00 -0.11 -0.38 0.00 -0.53 0.00 0.00 54.58 53.55 1yua n ASN 82 Cb 0.00 -0.83 0.02 0.00 -2.08 0.00 0.00 39.78 36.89 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 7.55 0.02 -4.36 -3.83 4.01 -1.21 -2.26 118.16 118.08 1yua n LYS 83 Ca 0.65 0.01 -0.34 0.00 -0.51 0.00 0.00 58.31 58.12 1yua n LYS 83 Cb 0.09 -1.03 -0.15 0.00 -0.51 0.00 0.00 35.03 33.43 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 -1.99 2.98 0.52 -0.18 2.01 -1.03 -0.50 115.64 117.44 1yua s THR 84 Ca 0.55 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.97 1yua s THR 84 Cb -0.44 -2.29 0.05 0.00 0.01 0.00 0.00 72.50 69.82 1yua s THR 84 CO 0.68 0.49 0.57 0.00 -0.69 0.00 0.00 174.62 175.68 1yua s MET 85 N 0.92 2.37 0.46 4.92 0.23 -1.01 -1.96 119.30 125.23 1yua s MET 85 Ca -0.02 -1.72 -0.11 0.00 -1.03 0.00 0.00 55.69 52.81 1yua s MET 85 Cb -0.15 -2.43 -0.06 0.00 -1.53 0.00 0.00 34.83 30.66 1yua s MET 85 CO -0.01 -0.62 0.83 0.08 -2.03 0.00 0.00 175.02 173.28 1yua s VAL 86 N -2.64 4.76 0.18 5.16 1.01 -0.95 -1.25 120.40 126.67 1yua s VAL 86 Ca 0.50 0.67 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1yua s VAL 86 Cb -0.05 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1yua s VAL 86 CO 0.31 -0.67 0.18 0.54 0.00 0.00 0.00 175.10 175.46 1yua n ARG 87 N -1.65 0.26 -3.83 2.72 5.12 0.23 -4.21 116.66 115.31 1yua n ARG 87 Ca 0.03 -1.69 -0.13 0.00 -1.93 0.00 0.00 57.85 54.14 1yua n ARG 87 Cb 0.54 1.44 -0.14 0.00 -1.16 0.00 0.00 32.46 33.15 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 -3.04 -0.06 -0.08 -1.55 5.36 -1.26 -2.15 117.98 115.20 1yua s PHE 88 Ca 0.20 0.17 0.04 0.00 -0.96 0.00 0.00 56.93 56.37 1yua s PHE 88 Cb 0.01 -0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.64 1yua s PHE 88 CO 0.14 -0.05 -0.19 -1.12 -1.46 0.00 0.00 175.22 172.54 1yua s SER 89 N 0.29 3.56 0.15 6.13 0.01 -1.01 -4.90 113.70 117.94 1yua s SER 89 Ca -0.02 -0.39 0.23 0.00 1.31 0.00 0.00 55.95 57.08 1yua s SER 89 Cb -0.03 -1.13 0.19 0.00 0.21 0.00 0.00 66.02 65.26 1yua s SER 89 CO -0.01 0.24 1.20 0.03 0.41 0.00 0.00 173.24 175.11 1yua h ARG 90 N 6.16 0.00 0.00 12.44 3.08 -1.95 0.53 114.38 134.63 1yua h ARG 90 Ca -0.32 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 1yua h ARG 90 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1yua h ARG 90 CO 0.50 0.00 -0.02 0.87 -1.07 0.00 0.00 179.97 180.26 1yua h LYS 91 N 0.00 0.00 0.00 0.04 6.56 -1.99 -3.16 116.57 118.03 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 0.00 179.45 177.59 1yua n THR 92 N -3.49 0.00 -3.70 -0.16 -2.24 -1.24 -5.05 114.28 98.40 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 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.61 -0.78 4.76 0.14 -4.96 118.16 113.35 1yua n LYS 93 Ca 0.00 0.78 -0.06 0.00 -2.87 0.00 0.00 58.31 56.17 1yua n LYS 93 Cb 0.52 -2.96 -0.02 0.00 -1.84 0.00 0.00 35.03 30.73 1yua n LYS 93 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1yua n GLN 94 N -2.84 0.18 -4.14 1.97 6.02 -0.98 -4.97 117.38 112.63 1yua n GLN 94 Ca -0.24 -1.06 -0.34 0.00 -0.01 0.00 0.00 57.00 55.35 1yua n GLN 94 Cb 0.65 0.93 -0.14 0.00 1.02 0.00 0.00 30.24 32.69 1yua n GLN 94 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1yua s GLN 95 N -2.38 3.31 -0.05 -1.09 1.11 -1.26 -2.39 119.66 116.90 1yua s GLN 95 Ca 0.12 -0.68 0.05 0.00 0.01 0.00 0.00 55.36 54.86 1yua s GLN 95 Cb 0.00 -2.84 -0.00 0.00 -1.01 0.00 0.00 33.01 29.16 1yua s GLN 95 CO 0.09 -0.11 -0.19 1.52 0.01 0.00 0.00 175.29 176.61 1yua s TYR 96 N 1.19 1.92 0.54 0.91 -0.85 -0.91 -2.37 117.35 117.77 1yua s TYR 96 Ca 0.02 -0.59 -0.04 0.00 -0.52 0.00 0.00 57.07 55.94 1yua s TYR 96 Cb -0.14 -1.29 0.00 0.00 0.38 0.00 0.00 41.96 40.91 1yua s TYR 96 CO -0.03 -0.21 0.82 0.14 -1.52 0.00 0.00 175.55 174.75 1yua s VAL 97 N 0.07 3.81 -0.17 -3.49 -7.23 0.88 0.78 120.40 115.05 1yua s VAL 97 Ca -0.06 -0.16 -0.07 0.00 -1.81 0.00 0.00 61.98 59.89 1yua s VAL 97 Cb -0.13 -3.47 0.08 0.00 0.56 0.00 0.00 36.38 33.41 1yua s VAL 97 CO 0.03 -0.43 0.37 -0.44 -0.31 0.00 0.00 175.10 174.31 1yua s SER 98 N -4.27 -0.14 0.84 4.85 0.01 -0.38 0.12 113.70 114.73 1yua s SER 98 Ca 0.52 0.85 -0.10 0.00 1.31 0.00 0.00 55.95 58.52 1yua s SER 98 Cb -0.10 1.03 0.10 0.00 0.21 0.00 0.00 66.02 67.25 1yua s SER 98 CO 0.43 -0.22 1.11 -0.44 0.41 0.00 0.00 173.24 174.53 1yua s SER 99 N 2.27 3.79 -0.15 2.44 0.01 -0.70 -2.41 113.70 118.95 1yua s SER 99 Ca -0.03 1.98 -0.12 0.00 1.31 0.00 0.00 55.95 59.09 1yua s SER 99 Cb -0.11 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.62 1yua s SER 99 CO -0.11 -2.52 0.38 -1.61 0.41 0.00 0.00 173.24 169.79 1yua s GLU 100 N -4.79 0.41 -0.45 12.44 2.02 0.34 -4.15 118.70 124.52 1yua s GLU 100 Ca 0.64 0.59 -0.06 0.00 0.02 0.00 0.00 54.97 56.15 1yua s GLU 100 Cb -0.20 0.14 0.12 0.00 0.10 0.00 0.00 34.13 34.29 1yua s GLU 100 CO 0.57 -0.08 0.29 0.21 0.02 0.00 0.00 175.26 176.26 1yua s LYS 101 N 0.55 2.27 1.38 1.61 2.20 -1.26 -3.32 119.74 123.17 1yua s LYS 101 Ca -0.03 -1.80 0.00 0.00 -0.36 0.00 0.00 55.97 53.78 1yua s LYS 101 Cb -0.04 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 1yua s LYS 101 CO -0.03 -1.14 0.00 -0.25 -0.36 0.00 0.00 175.35 173.57 1yua n ASP 102 N 4.75 0.00 -1.85 1.43 9.92 -1.26 -2.18 116.55 127.36 1yua n ASP 102 Ca -0.05 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.17 1yua n ASP 102 Cb 0.41 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.92 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 1.26 0.37 0.44 0.00 -1.26 -4.90 105.19 101.10 1yua n GLY 103 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.63 0.55 -3.42 1.61 2.85 -0.92 -5.03 118.16 113.15 1yua n LYS 104 Ca -0.19 -1.14 -0.30 0.00 -1.05 0.00 0.00 58.31 55.63 1yua n LYS 104 Cb 0.82 -1.18 0.03 0.00 -0.65 0.00 0.00 35.03 34.05 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 0.48 -2.50 -0.24 0.58 0.00 -1.26 -4.83 120.51 112.73 1yua n ALA 105 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1yua n ALA 105 Cb 0.24 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 -0.63 0.00 0.00 0.00 -2.24 -1.26 -4.89 114.28 105.27 1yua n THR 106 Ca -0.08 1.38 0.00 0.00 -2.27 0.00 0.00 64.05 63.08 1yua n THR 106 Cb 0.64 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 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 -0.98 0.31 3.53 3.38 0.00 -1.26 -5.08 105.19 105.09 1yua n GLY 107 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 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 0.85 -3.30 1.61 -0.00 -1.26 -4.61 117.44 110.72 1yua n TRP 108 Ca 0.00 0.84 -0.09 0.00 -0.00 0.00 0.00 57.50 58.25 1yua n TRP 108 Cb 0.00 -2.18 -0.06 0.00 -0.00 0.00 0.00 31.31 29.07 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 0.34 0.31 5.87 1.04 -1.26 -1.72 113.70 118.20 1yua s SER 109 Ca 0.79 -0.53 -0.09 0.00 0.48 0.00 0.00 55.95 56.60 1yua s SER 109 Cb -1.01 1.11 -0.06 0.00 0.10 0.00 0.00 66.02 66.15 1yua s SER 109 CO 0.53 -0.33 0.63 0.00 0.98 0.00 0.00 173.24 175.05 1yua s ALA 110 N 2.39 3.50 -0.04 5.32 0.00 0.12 -1.82 121.76 131.23 1yua s ALA 110 Ca 0.11 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 51.81 1yua s ALA 110 Cb -0.12 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 1yua s ALA 110 CO -0.26 0.24 -0.25 -0.06 0.00 0.00 0.00 175.76 175.43 1yua s PHE 111 N -2.09 2.37 -0.60 0.00 0.40 -0.79 -0.08 117.98 117.19 1yua s PHE 111 Ca 0.48 -0.61 -0.24 0.00 -0.60 0.00 0.00 56.93 55.95 1yua s PHE 111 Cb -0.11 -1.55 0.05 0.00 0.51 0.00 0.00 43.02 41.92 1yua s PHE 111 CO 0.27 -0.15 1.00 -0.47 0.70 0.00 0.00 175.22 176.57 1yua s TYR 112 N -0.32 2.70 0.00 0.36 5.04 -1.00 0.41 117.35 124.53 1yua s TYR 112 Ca 0.01 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 1yua s TYR 112 Cb -0.12 -4.22 0.00 0.00 0.35 0.00 0.00 41.96 37.97 1yua s TYR 112 CO 0.02 -1.52 0.00 0.28 -1.34 0.00 0.00 175.55 172.99 1yua n VAL 113 N 6.18 0.00 -2.02 3.14 0.31 -0.53 -4.75 118.33 120.66 1yua n VAL 113 Ca 0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.08 1yua n VAL 113 Cb 0.47 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.34 1yua n VAL 113 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1yua s ASP 114 N -1.00 4.99 -0.98 4.52 1.47 -1.26 -2.87 116.67 121.54 1yua s ASP 114 Ca 0.00 -1.03 0.00 0.00 1.18 0.00 0.00 52.55 52.70 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 40.01 1yua s ASP 114 CO 0.00 -2.99 0.00 0.61 0.68 0.00 0.00 175.17 173.47 1yua n GLY 115 N 6.43 0.02 2.68 2.12 0.00 -1.26 -4.83 105.19 110.35 1yua n GLY 115 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.40 1.72 -1.03 1.61 4.01 -1.14 -5.10 118.16 115.84 1yua n LYS 116 Ca -0.12 -4.29 -0.34 0.00 -0.51 0.00 0.00 58.31 53.05 1yua n LYS 116 Cb 0.51 -2.14 0.10 0.00 -0.51 0.00 0.00 35.03 33.00 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 1.78 -0.68 -4.00 2.13 7.02 -1.25 -1.45 117.44 120.99 1yua n TRP 117 Ca 0.24 0.31 -0.10 0.00 -1.02 0.00 0.00 57.50 56.93 1yua n TRP 117 Cb 0.39 -1.90 -0.03 0.00 -2.42 0.00 0.00 31.31 27.35 1yua n TRP 117 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1yua n VAL 118 N -3.09 0.00 -3.62 -0.99 0.24 0.16 -4.77 118.33 106.26 1yua n VAL 118 Ca 0.09 -1.26 -0.24 0.00 -2.04 0.00 0.00 64.34 60.89 1yua n VAL 118 Cb 0.52 0.70 -0.17 0.00 -1.47 0.00 0.00 33.84 33.42 1yua n VAL 118 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1yua s GLU 119 N -2.64 0.03 -0.91 7.34 2.02 -1.26 -1.88 118.70 121.40 1yua s GLU 119 Ca 0.21 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.28 1yua s GLU 119 Cb 0.00 -1.39 0.31 0.00 0.10 0.00 0.00 34.13 33.15 1yua s GLU 119 CO 0.15 -0.57 1.47 0.41 0.02 0.00 0.00 175.26 176.74 1yua n GLY 120 N 5.29 5.69 3.46 -1.39 0.00 -0.75 -4.98 105.19 112.50 1yua n GLY 120 Ca -0.06 -2.66 -0.40 0.00 0.00 0.00 0.00 46.02 42.89 1yua n GLY 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yua n LYS 121 N 0.31 0.59 0.00 1.61 3.00 -1.26 -4.65 118.16 117.76 1yua n LYS 121 Ca 0.37 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.90 1yua n LYS 121 Cb 0.32 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 33.77 1yua n LYS 121 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76