#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 -6.76 0.00 6.12 3.02 -1.26 -5.04 115.26 111.34 1yua n ASN 2 Ca 0.00 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.14 1yua n ASN 2 Cb 0.00 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 37.52 1yua n ASN 2 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yua n GLY 3 N -1.61 1.10 3.40 7.41 0.00 -1.26 -4.95 105.19 109.28 1yua n GLY 3 Ca 0.00 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 1yua n GLY 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yua s GLU 4 N -1.34 3.01 0.12 1.61 8.01 -1.26 -5.04 118.70 123.82 1yua s GLU 4 Ca 0.00 -0.95 -0.02 0.00 0.01 0.00 0.00 54.97 54.01 1yua s GLU 4 Cb 0.00 -3.66 0.01 0.00 -4.31 0.00 0.00 34.13 26.16 1yua s GLU 4 CO 0.00 -0.59 0.20 0.28 0.01 0.00 0.00 175.26 175.16 1yua n VAL 5 N 4.99 0.00 -1.47 2.63 0.31 -1.26 -5.05 118.33 118.48 1yua n VAL 5 Ca -0.13 -0.51 -0.44 0.00 -0.01 0.00 0.00 64.34 63.26 1yua n VAL 5 Cb 0.47 0.36 -0.13 0.00 -0.91 0.00 0.00 33.84 33.63 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 -2.21 0.34 -1.07 3.52 0.00 -1.26 -4.80 120.51 115.03 1yua n ALA 6 Ca -0.05 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 1yua n ALA 6 Cb 0.20 -2.32 0.09 0.00 0.00 0.00 0.00 19.45 17.41 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 8.39 0.06 0.00 0.00 -0.02 -1.26 -4.99 135.00 137.17 1yua n PRO 7 Ca 0.61 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1yua n PRO 7 Cb 0.07 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1yua n PRO 7 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1yua n PRO 8 N -0.88 0.93 0.00 0.52 -0.04 -1.26 -4.62 135.00 129.65 1yua n PRO 8 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1yua n PRO 8 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1yua n PRO 8 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1yua n LYS 9 N -0.06 0.00 0.00 0.54 3.00 -1.26 -3.81 118.16 116.57 1yua n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1yua n LYS 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1yua n LYS 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1yua n GLU 10 N 0.00 0.00 0.00 1.64 4.71 -1.26 -4.99 120.64 120.74 1yua n GLU 10 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 1yua n GLU 10 Cb 0.00 -1.09 0.00 0.00 -1.01 0.00 0.00 31.44 29.34 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 -1.09 0.00 0.00 1.62 8.00 -1.25 -4.97 116.55 118.87 1yua n ASP 11 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1yua n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1yua n ASP 11 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1yua n PRO 12 N -0.83 0.00 -3.23 -0.24 -0.02 -1.26 -4.10 135.00 125.31 1yua n PRO 12 Ca 0.00 0.66 -0.24 0.00 -2.02 0.00 0.00 63.50 61.90 1yua n PRO 12 Cb 0.00 -1.25 -0.07 0.00 -0.02 0.00 0.00 33.50 32.17 1yua n PRO 12 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1yua n VAL 13 N -1.86 0.38 -1.64 -1.45 0.31 -1.13 -5.02 118.33 107.92 1yua n VAL 13 Ca 0.00 -4.49 -0.47 0.00 -0.01 0.00 0.00 64.34 59.37 1yua n VAL 13 Cb 0.00 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 31.15 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 1.02 1.78 -2.54 5.55 -0.02 -1.26 -0.90 135.00 138.62 1yua n PRO 14 Ca 0.24 0.64 -0.27 0.00 -2.02 0.00 0.00 63.50 62.09 1yua n PRO 14 Cb 0.51 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.41 4.69 -0.19 2.45 4.77 -0.84 -4.79 117.00 125.50 1yua n LEU 15 Ca 0.14 -5.29 0.23 0.00 -0.03 0.00 0.00 56.01 51.06 1yua n LEU 15 Cb 0.28 -0.48 0.35 0.00 -2.33 0.00 0.00 43.42 41.25 1yua n LEU 15 CO 0.62 2.26 0.98 -2.65 -1.33 0.00 0.00 177.39 177.27 1yua n PRO 16 N -0.45 0.01 0.00 3.23 -0.02 -1.26 0.72 135.00 137.23 1yua n PRO 16 Ca 0.38 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 1yua n PRO 16 Cb 0.62 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1yua n PRO 16 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1yua n GLU 17 N -2.83 0.94 -3.43 -0.52 0.00 -1.26 -4.39 120.64 109.14 1yua n GLU 17 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 57.13 1yua n GLU 17 Cb 1.21 -1.34 -0.10 0.00 0.00 0.00 0.00 31.44 31.20 1yua n GLU 17 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1yua s LEU 18 N 0.00 0.23 0.45 4.31 0.20 0.22 -5.05 118.68 119.04 1yua s LEU 18 Ca 0.00 -1.44 -0.21 0.00 0.69 0.00 0.00 54.13 53.17 1yua s LEU 18 Cb 0.00 0.17 -0.12 0.00 -0.43 0.00 0.00 46.19 45.81 1yua s LEU 18 CO 0.00 -0.34 0.48 -2.65 -0.29 0.00 0.00 176.35 173.55 1yua n PRO 19 N 4.68 0.50 0.00 0.98 -0.02 -1.26 -0.75 135.00 139.13 1yua n PRO 19 Ca 0.05 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1yua n PRO 19 Cb 0.43 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.61 2.50 -1.83 0.00 2.13 -1.26 -4.80 120.64 115.77 1yua n GLU 21 Ca 0.00 -2.91 -0.17 0.00 0.66 0.00 0.00 57.16 54.74 1yua n GLU 21 Cb 0.00 -2.14 -0.05 0.00 0.27 0.00 0.00 31.44 29.52 1yua n GLU 21 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yua n LYS 22 N -0.57 -1.58 0.00 5.31 3.00 -1.26 -4.90 118.16 118.16 1yua n LYS 22 Ca 0.55 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.77 1yua n LYS 22 Cb 0.61 -5.34 0.00 0.00 0.00 0.00 0.00 35.03 30.30 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 -1.26 0.81 0.00 3.14 2.88 -1.26 -4.98 113.62 112.95 1yua n SER 23 Ca -0.18 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.50 1yua n SER 23 Cb 0.58 0.00 0.79 0.00 -0.75 0.00 0.00 64.21 64.83 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 0.00 0.00 -4.61 -3.46 2.03 -1.26 -4.68 116.55 104.57 1yua n ASP 24 Ca 0.00 -0.71 -0.29 0.00 0.52 0.00 0.00 54.79 54.31 1yua n ASP 24 Cb 0.00 -0.06 0.13 0.00 -0.72 0.00 0.00 41.12 40.47 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yua s ALA 25 N -2.11 2.49 0.00 -1.67 0.00 -1.26 -4.98 121.76 114.23 1yua s ALA 25 Ca 0.38 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1yua s ALA 25 Cb 0.19 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1yua s ALA 25 CO 0.33 -1.97 0.00 2.48 0.00 0.00 0.00 175.76 176.61 1yua n TYR 26 N -3.49 -0.19 -3.97 0.00 4.11 -1.26 -2.54 117.16 109.82 1yua n TYR 26 Ca 0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.69 1yua n TYR 26 Cb 0.60 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.80 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 -3.23 3.63 -0.37 -3.48 0.08 0.07 -2.73 117.98 111.96 1yua s PHE 27 Ca 0.00 -2.96 -0.27 0.00 0.12 0.00 0.00 56.93 53.82 1yua s PHE 27 Cb 0.00 -2.96 0.02 0.00 -0.57 0.00 0.00 43.02 39.51 1yua s PHE 27 CO 0.00 -0.91 1.00 0.08 -0.10 0.00 0.00 175.22 175.28 1yua s VAL 28 N 0.69 4.51 -0.48 -0.44 1.01 -0.85 -1.99 120.40 122.86 1yua s VAL 28 Ca 0.12 1.35 -0.26 0.00 0.00 0.00 0.00 61.98 63.19 1yua s VAL 28 Cb -0.21 -4.39 -0.07 0.00 0.00 0.00 0.00 36.38 31.71 1yua s VAL 28 CO -0.06 -0.59 2.41 -0.11 0.00 0.00 0.00 175.10 176.75 1yua n LEU 29 N 6.95 2.36 -4.81 3.92 7.94 -0.08 -2.50 117.00 130.78 1yua n LEU 29 Ca 0.09 -0.43 -0.22 0.00 -1.11 0.00 0.00 56.01 54.35 1yua n LEU 29 Cb 0.48 -1.57 -0.04 0.00 0.53 0.00 0.00 43.42 42.82 1yua n LEU 29 CO 0.60 -1.47 -0.14 -0.13 -1.11 0.00 0.00 177.39 175.14 1yua s ARG 30 N 8.11 2.70 -0.39 1.96 3.00 0.16 -2.84 118.95 131.66 1yua s ARG 30 Ca 0.99 -1.27 0.02 0.00 0.00 0.00 0.00 55.73 55.48 1yua s ARG 30 Cb -0.22 -2.44 0.11 0.00 0.00 0.00 0.00 34.95 32.41 1yua s ARG 30 CO 0.28 0.20 0.14 0.16 0.00 0.00 0.00 175.30 176.08 1yua s ASP 31 N -3.91 4.27 0.00 0.23 -4.77 -1.26 -0.67 116.67 110.56 1yua s ASP 31 Ca 0.38 -2.30 0.00 0.00 -3.30 0.00 0.00 52.55 47.32 1yua s ASP 31 Cb -0.06 -1.32 0.00 0.00 -1.09 0.00 0.00 42.92 40.45 1yua s ASP 31 CO 0.25 -0.34 0.00 0.61 0.70 0.00 0.00 175.17 176.40 1yua n GLY 32 N 4.02 -2.71 0.00 2.12 0.00 -1.11 -4.93 105.19 102.58 1yua n GLY 32 Ca 0.04 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 45.13 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 3.32 -0.04 4.61 0.00 -1.26 -4.53 120.51 119.61 1yua n ALA 33 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 1yua n ALA 33 Cb 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.30 1.30 0.00 0.00 0.00 -1.26 -5.06 120.51 114.19 1yua n ALA 34 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1yua n ALA 34 Cb 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 1.81 -1.21 3.81 0.00 0.00 -1.26 -4.89 105.19 103.45 1yua n GLY 35 Ca -0.28 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.01 3.00 -0.18 1.61 -7.23 -1.26 -2.75 120.40 111.58 1yua s VAL 36 Ca 0.00 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1yua s VAL 36 Cb 0.00 -3.09 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1yua s VAL 36 CO 0.00 -0.43 0.00 2.22 -0.31 0.00 0.00 175.10 176.58 1yua n PHE 37 N -3.43 0.00 -3.49 2.82 -1.74 0.16 -3.83 117.46 107.95 1yua n PHE 37 Ca 0.07 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.73 1yua n PHE 37 Cb 0.57 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.44 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 0.13 0.33 5.98 1.02 -1.13 0.40 118.68 125.41 1yua s LEU 38 Ca 0.00 -0.85 -0.08 0.00 0.02 0.00 0.00 54.13 53.23 1yua s LEU 38 Cb 0.00 0.10 -0.06 0.00 0.02 0.00 0.00 46.19 46.25 1yua s LEU 38 CO 0.00 -0.39 0.64 0.00 0.02 0.00 0.00 176.35 176.62 1yua s ALA 39 N 2.24 3.50 0.25 4.21 0.00 -1.04 -4.32 121.76 126.60 1yua s ALA 39 Ca 0.08 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.35 1yua s ALA 39 Cb -0.15 -2.48 -0.10 0.00 0.00 0.00 0.00 23.12 20.39 1yua s ALA 39 CO -0.29 0.15 1.47 0.00 0.00 0.00 0.00 175.76 177.10 1yua s ALA 40 N -2.19 3.65 -1.20 0.00 0.00 -1.20 -2.01 121.76 118.81 1yua s ALA 40 Ca 0.47 1.37 0.14 0.00 0.00 0.00 0.00 51.96 53.94 1yua s ALA 40 Cb -0.11 -3.58 0.66 0.00 0.00 0.00 0.00 23.12 20.10 1yua s ALA 40 CO 0.30 -0.78 1.42 -1.71 0.00 0.00 0.00 175.76 174.99 1yua n ASN 41 N 2.41 0.00 -0.74 0.00 2.85 -1.10 -1.60 115.26 117.08 1yua n ASN 41 Ca 0.07 0.30 0.12 0.00 -0.11 0.00 0.00 54.58 54.97 1yua n ASN 41 Cb 0.40 -0.40 0.33 0.00 1.24 0.00 0.00 39.78 41.35 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 -1.40 0.17 -1.19 -0.44 -2.24 -1.26 -4.98 114.28 102.95 1yua n THR 42 Ca 0.05 -0.43 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 1yua n THR 42 Cb 0.14 0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.72 -1.13 1.86 4.78 -0.00 -0.63 -0.43 117.46 122.63 1yua n PHE 43 Ca 0.17 0.70 0.15 0.00 -0.00 0.00 0.00 57.45 58.47 1yua n PHE 43 Cb 0.45 -1.64 0.88 0.00 -0.00 0.00 0.00 39.48 39.16 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 1.03 0.93 -0.64 -7.13 -0.04 -1.26 -4.84 135.00 123.05 1yua n PRO 44 Ca 0.13 0.00 0.49 0.00 -0.04 0.00 0.00 63.50 64.08 1yua n PRO 44 Cb 0.28 -1.50 0.76 0.00 -0.04 0.00 0.00 33.50 33.00 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 -1.00 0.00 -3.56 0.54 4.81 0.43 -3.65 118.16 115.75 1yua n LYS 45 Ca 0.22 1.05 -0.18 0.00 -0.87 0.00 0.00 58.31 58.53 1yua n LYS 45 Cb 0.10 -2.44 -0.14 0.00 0.02 0.00 0.00 35.03 32.57 1yua n LYS 45 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1yua s SER 46 N -3.81 1.24 -0.13 3.14 0.01 -1.26 -5.00 113.70 107.90 1yua s SER 46 Ca -0.05 -0.07 0.06 0.00 1.31 0.00 0.00 55.95 57.21 1yua s SER 46 Cb 0.25 0.33 0.39 0.00 0.21 0.00 0.00 66.02 67.20 1yua s SER 46 CO 0.82 -0.30 1.14 0.54 0.41 0.00 0.00 173.24 175.85 1yua n ARG 47 N 5.32 2.75 -1.89 12.44 1.74 -1.24 -3.79 116.66 131.98 1yua n ARG 47 Ca -0.05 -1.51 -0.40 0.00 -0.77 0.00 0.00 57.85 55.11 1yua n ARG 47 Cb 0.50 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 1yua n ARG 47 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1yua s GLU 48 N -1.82 2.83 -0.02 5.56 2.02 -1.26 -4.93 118.70 121.08 1yua s GLU 48 Ca 0.26 1.19 -0.01 0.00 0.02 0.00 0.00 54.97 56.44 1yua s GLU 48 Cb 0.20 -4.35 0.01 0.00 0.10 0.00 0.00 34.13 30.09 1yua s GLU 48 CO 0.07 -2.46 0.03 -0.08 0.02 0.00 0.00 175.26 172.84 1yua s THR 49 N 8.81 -0.02 0.00 3.63 -1.32 -1.26 -3.26 115.64 122.21 1yua s THR 49 Ca 0.81 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.38 1yua s THR 49 Cb -0.19 -0.07 0.00 0.00 -1.51 0.00 0.00 72.50 70.74 1yua s THR 49 CO 0.28 0.04 0.00 0.54 -2.21 0.00 0.00 174.62 173.26 1yua n ARG 50 N 3.54 0.00 -1.68 7.08 1.74 -1.26 -4.93 116.66 121.15 1yua n ARG 50 Ca -0.19 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.47 1yua n ARG 50 Cb 0.56 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.00 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yua n ALA 51 N -0.76 1.01 -1.81 7.54 0.00 -1.25 -2.85 120.51 122.39 1yua n ALA 51 Ca 0.00 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 1yua n ALA 51 Cb 0.00 -2.21 -0.05 0.00 0.00 0.00 0.00 19.45 17.19 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 -1.91 4.00 0.17 0.00 0.04 -1.26 -4.47 135.00 131.57 1yua s PRO 52 Ca 0.57 1.10 -0.33 0.00 0.04 0.00 0.00 61.00 62.38 1yua s PRO 52 Cb -0.57 -2.14 -0.15 0.00 0.04 0.00 0.00 34.50 31.68 1yua s PRO 52 CO 0.61 -0.23 1.36 -0.11 0.04 0.00 0.00 177.00 178.67 1yua n LEU 53 N -1.13 2.38 -0.30 -3.56 -0.00 -1.26 -2.56 117.00 110.58 1yua n LEU 53 Ca 0.07 1.12 0.12 0.00 -0.00 0.00 0.00 56.01 57.33 1yua n LEU 53 Cb 0.54 -1.32 0.36 0.00 -0.00 0.00 0.00 43.42 42.99 1yua n LEU 53 CO 0.41 -0.78 1.22 0.58 -0.00 0.00 0.00 177.39 178.83 1yua h VAL 54 N 3.12 0.81 -0.34 1.96 2.07 -1.63 0.17 116.25 122.41 1yua h VAL 54 Ca -0.45 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 1yua h VAL 54 Cb 1.30 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1yua h VAL 54 CO 0.77 0.13 -0.22 1.05 0.02 0.00 0.00 177.57 179.33 1yua h GLU 55 N 0.72 0.66 -0.29 1.57 4.11 -1.79 -2.46 114.58 117.10 1yua h GLU 55 Ca 0.48 -0.25 -0.08 0.00 0.07 0.00 0.00 59.36 59.58 1yua h GLU 55 Cb 0.76 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1yua h GLU 55 CO -0.24 0.83 -0.17 0.93 0.07 0.00 0.00 179.01 180.43 1yua h GLU 56 N 0.58 0.52 -0.74 1.06 5.08 -1.06 -0.77 114.58 119.25 1yua h GLU 56 Ca 0.09 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1yua h GLU 56 Cb 0.69 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1yua h GLU 56 CO 0.05 0.67 0.23 1.25 -1.00 0.00 0.00 179.01 180.21 1yua h LEU 57 N 0.47 1.08 -0.59 1.33 7.12 -0.79 -2.05 115.31 121.89 1yua h LEU 57 Ca 0.08 -0.21 -0.14 0.00 0.13 0.00 0.00 57.88 57.74 1yua h LEU 57 Cb 0.57 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.39 1yua h LEU 57 CO 0.04 1.01 -0.68 0.22 -0.13 0.00 0.00 178.44 178.89 1yua h TYR 58 N 1.11 0.00 0.00 1.25 5.03 -1.07 -2.95 116.97 120.33 1yua h TYR 58 Ca 0.24 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.48 1yua h TYR 58 Cb 0.31 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1yua h TYR 58 CO 0.03 0.68 -0.33 -0.09 -1.32 0.00 0.00 178.16 177.13 1yua h ARG 59 N 0.00 0.00 -0.77 1.82 2.43 -0.64 -2.50 114.38 114.71 1yua h ARG 59 Ca -0.01 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 1yua h ARG 59 Cb 1.24 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.57 1yua h ARG 59 CO 0.09 0.33 0.39 1.19 -1.51 0.00 0.00 179.97 180.46 1yua n PHE 60 N -3.81 2.41 -0.21 2.20 3.01 -0.82 -4.57 117.46 115.67 1yua n PHE 60 Ca -0.01 -1.65 0.02 0.00 1.01 0.00 0.00 57.45 56.82 1yua n PHE 60 Cb 0.41 -0.77 0.27 0.00 -0.01 0.00 0.00 39.48 39.38 1yua n PHE 60 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yua h ARG 61 N 1.31 0.92 0.00 -1.08 2.47 -1.36 0.17 114.38 116.82 1yua h ARG 61 Ca 0.45 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.11 1yua h ARG 61 Cb 2.44 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 30.55 1yua h ARG 61 CO 0.84 0.61 -0.03 0.38 0.56 0.00 0.00 179.97 182.33 1yua h ASP 62 N 0.95 0.00 -0.55 7.04 3.04 -1.85 -1.25 116.42 123.80 1yua h ASP 62 Ca 0.28 0.00 -0.34 0.00 -3.24 0.00 0.00 57.03 53.73 1yua h ASP 62 Cb -0.03 0.00 -0.21 0.00 -1.04 0.00 0.00 39.33 38.05 1yua h ASP 62 CO -0.07 0.03 -0.08 -1.14 -2.04 0.00 0.00 179.24 175.94 1yua n ARG 63 N -4.14 2.34 -3.59 4.15 0.63 -0.02 -4.96 116.66 111.06 1yua n ARG 63 Ca -0.03 -3.41 -0.39 0.00 -0.92 0.00 0.00 57.85 53.10 1yua n ARG 63 Cb 0.12 -1.99 -0.11 0.00 0.45 0.00 0.00 32.46 30.92 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 -3.41 4.21 0.00 6.15 0.20 -0.47 -4.93 118.68 120.42 1yua s LEU 64 Ca 0.49 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.97 1yua s LEU 64 Cb 0.43 -2.08 0.00 0.00 -0.43 0.00 0.00 46.19 44.10 1yua s LEU 64 CO 0.01 -0.17 0.70 -0.81 -0.29 0.00 0.00 176.35 175.79 1yua n PRO 65 N 5.05 0.83 -0.12 0.98 -0.04 -1.26 -4.82 135.00 135.62 1yua n PRO 65 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1yua n PRO 65 Cb 0.50 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.32 0.00 0.00 0.54 0.00 -1.26 -4.77 120.64 114.83 1yua n GLU 66 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 1yua n GLU 66 Cb 0.06 -2.91 0.13 0.00 0.00 0.00 0.00 31.44 28.72 1yua n GLU 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1yua n LYS 67 N -2.00 0.07 -0.42 5.31 3.00 -1.26 -2.53 118.16 120.33 1yua n LYS 67 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1yua n LYS 67 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1yua n LEU 68 N -1.27 0.00 0.10 3.14 4.32 -1.26 -4.95 117.00 117.07 1yua n LEU 68 Ca 0.02 -0.89 -0.14 0.00 -0.02 0.00 0.00 56.01 54.98 1yua n LEU 68 Cb 0.04 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.77 1yua n LEU 68 CO 0.04 0.63 0.58 -0.09 -1.22 0.00 0.00 177.39 177.33 1yua h ARG 69 N 0.00 -0.61 -1.45 3.23 9.65 -1.87 0.15 114.38 123.48 1yua h ARG 69 Ca 0.00 0.04 0.45 0.00 -1.10 0.00 0.00 59.98 59.37 1yua h ARG 69 Cb 1.14 0.14 -0.11 0.00 -1.39 0.00 0.00 29.97 29.75 1yua h ARG 69 CO 0.00 -0.41 0.98 0.10 2.80 0.00 0.00 179.97 183.44 1yua h TYR 70 N -0.64 0.36 -0.11 2.20 -0.00 -1.93 0.87 116.97 117.72 1yua h TYR 70 Ca 0.03 0.02 -0.07 0.00 0.00 0.00 0.00 58.73 58.70 1yua h TYR 70 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 36.73 37.32 1yua h TYR 70 CO -0.38 -0.13 -0.21 -0.07 -0.00 0.00 0.00 178.16 177.37 1yua h LEU 71 N 0.07 0.37 0.00 0.10 3.38 -1.12 -2.63 115.31 115.48 1yua h LEU 71 Ca 0.81 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1yua h LEU 71 Cb 2.78 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 43.42 1yua h LEU 71 CO -0.28 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1yua n ALA 72 N -2.45 1.55 0.02 1.53 0.00 0.29 -1.89 120.51 119.55 1yua n ALA 72 Ca -0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 1yua n ALA 72 Cb 0.41 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.45 0.00 3.32 -0.71 -3.40 116.42 112.18 1yua h ASP 73 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1yua h ASP 73 Cb 0.17 0.00 0.21 0.00 0.22 0.00 0.00 39.33 39.93 1yua h ASP 73 CO 0.00 1.00 -0.22 0.00 -1.72 0.00 0.00 179.24 178.30 1yua n ALA 74 N -2.46 -2.38 -0.87 3.45 0.00 -0.79 -4.90 120.51 112.56 1yua n ALA 74 Ca -0.09 -0.89 -0.34 0.00 0.00 0.00 0.00 53.44 52.12 1yua n ALA 74 Cb 1.00 -1.95 0.09 0.00 0.00 0.00 0.00 19.45 18.60 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 -3.63 -0.27 -0.21 0.00 -0.02 -1.26 -4.90 135.00 124.71 1yua n PRO 75 Ca 0.06 -0.05 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 1yua n PRO 75 Cb 0.55 -1.52 0.04 0.00 -0.02 0.00 0.00 33.50 32.55 1yua n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yua n GLN 76 N -0.12 0.77 0.00 -0.52 10.64 -1.26 -4.66 117.38 122.23 1yua n GLN 76 Ca 0.03 -1.39 0.00 0.00 -1.83 0.00 0.00 57.00 53.81 1yua n GLN 76 Cb 0.56 -0.84 0.00 0.00 -0.86 0.00 0.00 30.24 29.10 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 -0.46 0.00 -1.16 2.61 10.64 -1.26 -2.38 117.38 125.38 1yua n GLN 77 Ca 0.04 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.34 1yua n GLN 77 Cb 0.58 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.91 1yua n GLN 77 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1yua n ASP 78 N 0.00 -6.11 0.00 2.61 9.92 -1.20 -0.28 116.55 121.49 1yua n ASP 78 Ca 0.00 0.71 0.09 0.00 -0.53 0.00 0.00 54.79 55.05 1yua n ASP 78 Cb 0.00 -3.72 0.43 0.00 -0.64 0.00 0.00 41.12 37.19 1yua n ASP 78 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1yua n PRO 79 N -3.59 0.16 -0.14 -0.24 -0.04 -1.26 -3.29 135.00 126.61 1yua n PRO 79 Ca -0.03 0.14 -0.26 0.00 -0.04 0.00 0.00 63.50 63.32 1yua n PRO 79 Cb 0.63 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.48 1yua n PRO 79 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yua n GLU 80 N -1.37 0.61 0.00 0.54 0.00 -1.25 -5.02 120.64 114.15 1yua n GLU 80 Ca 0.07 0.22 0.00 0.00 0.00 0.00 0.00 57.16 57.45 1yua n GLU 80 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.11 1yua n GLU 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1yua n GLY 81 N 1.59 0.74 3.51 8.31 0.00 0.62 -5.07 105.19 114.88 1yua n GLY 81 Ca -0.52 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1yua n GLY 81 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yua n ASN 82 N 0.00 0.61 -3.45 1.61 3.02 -0.70 -4.63 115.26 111.72 1yua n ASN 82 Ca 0.00 -0.13 -0.35 0.00 -0.03 0.00 0.00 54.58 54.08 1yua n ASN 82 Cb 0.00 -1.06 -0.01 0.00 -0.61 0.00 0.00 39.78 38.11 1yua n ASN 82 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1yua n LYS 83 N 8.29 0.00 -4.10 3.52 5.02 -1.24 -3.25 118.16 126.40 1yua n LYS 83 Ca 0.59 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.58 1yua n LYS 83 Cb 0.18 -0.80 -0.16 0.00 -0.02 0.00 0.00 35.03 34.22 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 -1.22 1.65 0.26 -0.18 2.01 -1.00 0.18 115.64 117.34 1yua s THR 84 Ca 0.48 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.86 1yua s THR 84 Cb -0.56 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1yua s THR 84 CO 0.49 0.47 0.26 0.00 -0.69 0.00 0.00 174.62 175.15 1yua s MET 85 N 1.38 3.08 0.31 4.92 0.00 -0.95 -1.82 119.30 126.23 1yua s MET 85 Ca 0.03 -0.98 -0.20 0.00 0.00 0.00 0.00 55.69 54.54 1yua s MET 85 Cb -0.13 -2.67 -0.09 0.00 0.00 0.00 0.00 34.83 31.94 1yua s MET 85 CO -0.10 0.38 0.83 0.08 0.00 0.00 0.00 175.02 176.21 1yua s VAL 86 N -2.10 4.47 0.07 5.16 1.01 -1.06 -1.15 120.40 126.80 1yua s VAL 86 Ca 0.34 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.70 1yua s VAL 86 Cb -0.08 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1yua s VAL 86 CO 0.26 -0.02 0.03 0.54 0.00 0.00 0.00 175.10 175.92 1yua n ARG 87 N 0.13 0.68 -3.68 2.72 5.12 0.19 -4.11 116.66 117.71 1yua n ARG 87 Ca 0.02 -0.58 -0.15 0.00 -1.93 0.00 0.00 57.85 55.21 1yua n ARG 87 Cb 0.52 0.35 -0.14 0.00 -1.16 0.00 0.00 32.46 32.03 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 -1.90 -0.29 -0.12 -1.55 5.36 -1.26 -1.29 117.98 116.92 1yua s PHE 88 Ca 0.04 0.76 -0.06 0.00 -0.96 0.00 0.00 56.93 56.72 1yua s PHE 88 Cb 0.00 -0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.52 1yua s PHE 88 CO 0.03 -0.29 0.11 -1.12 -1.46 0.00 0.00 175.22 172.48 1yua s SER 89 N 2.15 6.10 0.03 6.13 0.01 -0.49 -4.89 113.70 122.74 1yua s SER 89 Ca 0.00 0.36 0.25 0.00 1.31 0.00 0.00 55.95 57.87 1yua s SER 89 Cb -0.12 -1.94 0.49 0.00 0.21 0.00 0.00 66.02 64.66 1yua s SER 89 CO -0.07 0.37 1.40 0.54 0.41 0.00 0.00 173.24 175.90 1yua n ARG 90 N 2.22 0.07 0.28 12.44 1.74 -1.26 -1.41 116.66 130.74 1yua n ARG 90 Ca -0.19 0.02 0.15 0.00 -0.77 0.00 0.00 57.85 57.06 1yua n ARG 90 Cb 0.54 -1.54 0.80 0.00 -1.02 0.00 0.00 32.46 31.24 1yua n ARG 90 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1yua h LYS 91 N 0.00 0.00 0.00 5.56 6.56 -1.97 -3.24 116.57 123.48 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 0.56 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1yua h LYS 91 CO 0.00 0.08 -0.00 0.25 -2.06 0.00 0.00 179.45 177.72 1yua n THR 92 N -3.47 0.00 -3.67 -0.16 -2.24 -1.24 -5.04 114.28 98.46 1yua n THR 92 Ca -0.02 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 1yua n THR 92 Cb 0.22 0.81 0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.18 -4.19 -0.78 5.02 -0.50 -4.98 118.16 111.56 1yua n LYS 93 Ca 0.00 0.56 -0.15 0.00 -2.02 0.00 0.00 58.31 56.70 1yua n LYS 93 Cb 0.50 -3.91 -0.07 0.00 -0.02 0.00 0.00 35.03 31.53 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 -5.69 1.62 -0.26 1.97 -0.21 -1.02 -4.98 119.66 111.09 1yua s GLN 94 Ca 0.38 -1.79 -0.10 0.00 0.02 0.00 0.00 55.36 53.87 1yua s GLN 94 Cb -0.14 0.35 -0.04 0.00 1.00 0.00 0.00 33.01 34.17 1yua s GLN 94 CO 0.86 -0.61 0.14 -0.65 -2.12 0.00 0.00 175.29 172.92 1yua s GLN 95 N -3.60 3.87 -0.17 2.91 -1.52 -1.26 -1.40 119.66 118.49 1yua s GLN 95 Ca 0.36 -0.36 -0.01 0.00 -1.95 0.00 0.00 55.36 53.40 1yua s GLN 95 Cb 0.03 -3.52 -0.00 0.00 -0.22 0.00 0.00 33.01 29.29 1yua s GLN 95 CO 0.20 -0.14 -0.12 1.52 -0.25 0.00 0.00 175.29 176.50 1yua s TYR 96 N 1.58 2.84 0.62 0.91 -0.85 -0.41 -1.78 117.35 120.25 1yua s TYR 96 Ca 0.07 -0.99 -0.04 0.00 -0.52 0.00 0.00 57.07 55.58 1yua s TYR 96 Cb -0.15 -1.94 0.03 0.00 0.38 0.00 0.00 41.96 40.28 1yua s TYR 96 CO 0.08 -0.47 0.90 0.14 -1.52 0.00 0.00 175.55 174.67 1yua s VAL 97 N 0.94 2.89 -0.19 -3.49 -7.23 0.44 0.56 120.40 114.32 1yua s VAL 97 Ca -0.02 -0.30 -0.07 0.00 -1.81 0.00 0.00 61.98 59.77 1yua s VAL 97 Cb -0.15 -3.17 0.09 0.00 0.56 0.00 0.00 36.38 33.71 1yua s VAL 97 CO -0.01 -0.16 0.41 -0.55 -0.31 0.00 0.00 175.10 174.48 1yua s SER 98 N -4.41 -0.26 -0.99 4.85 0.15 -0.30 0.36 113.70 113.09 1yua s SER 98 Ca 0.57 0.97 -0.25 0.00 0.70 0.00 0.00 55.95 57.94 1yua s SER 98 Cb -0.11 1.25 -0.10 0.00 -1.71 0.00 0.00 66.02 65.35 1yua s SER 98 CO 0.43 -0.23 2.06 -0.94 1.20 0.00 0.00 173.24 175.76 1yua s SER 99 N 2.46 4.60 0.16 5.45 1.04 -0.49 -2.24 113.70 124.67 1yua s SER 99 Ca -0.03 -0.87 0.08 0.00 0.48 0.00 0.00 55.95 55.61 1yua s SER 99 Cb -0.12 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 1yua s SER 99 CO -0.13 -3.38 -0.07 -0.70 0.98 0.00 0.00 173.24 169.94 1yua s GLU 100 N 7.44 2.16 -0.09 4.02 -6.30 0.48 -3.13 118.70 123.27 1yua s GLU 100 Ca 0.76 -1.16 -0.00 0.00 -2.50 0.00 0.00 54.97 52.07 1yua s GLU 100 Cb -0.06 -2.25 0.02 0.00 0.00 0.00 0.00 34.13 31.84 1yua s GLU 100 CO 0.08 0.46 -0.07 0.21 0.02 0.00 0.00 175.26 175.96 1yua s LYS 101 N -2.67 1.31 1.66 4.30 2.20 -1.26 -3.59 119.74 121.71 1yua s LYS 101 Ca 0.24 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 1yua s LYS 101 Cb -0.10 -1.37 0.00 0.00 -1.51 0.00 0.00 37.83 34.85 1yua s LYS 101 CO 0.16 -0.21 0.00 -0.25 -0.36 0.00 0.00 175.35 174.68 1yua n ASP 102 N 4.73 0.00 -2.71 1.43 8.00 -1.26 -2.14 116.55 124.60 1yua n ASP 102 Ca -0.14 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.27 1yua n ASP 102 Cb 0.50 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.68 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 0.00 1.45 2.36 0.44 0.00 -1.26 -5.01 105.19 103.17 1yua n GLY 103 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.31 0.49 -1.51 1.61 2.85 -0.91 -5.06 118.16 115.32 1yua n LYS 104 Ca 0.03 -2.98 -0.30 0.00 -1.05 0.00 0.00 58.31 54.01 1yua n LYS 104 Cb 0.82 -1.44 -0.17 0.00 -0.65 0.00 0.00 35.03 33.60 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 2.13 0.69 0.02 0.58 0.00 -1.26 -4.03 120.51 118.65 1yua n ALA 105 Ca 0.23 -0.67 0.21 0.00 0.00 0.00 0.00 53.44 53.22 1yua n ALA 105 Cb 0.52 -2.51 0.61 0.00 0.00 0.00 0.00 19.45 18.07 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 7.53 0.18 0.00 0.00 1.35 -1.91 -3.44 112.91 116.62 1yua h THR 106 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1yua h THR 106 Cb 1.20 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1yua h THR 106 CO 1.43 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.31 1yua n GLY 107 N -1.54 1.05 3.67 5.82 0.00 -1.26 -4.95 105.19 107.99 1yua n GLY 107 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.02 2.31 -3.33 1.61 -0.00 -1.26 -3.54 117.44 113.21 1yua n TRP 108 Ca 0.00 0.17 -0.11 0.00 -0.00 0.00 0.00 57.50 57.56 1yua n TRP 108 Cb 0.00 -2.59 -0.07 0.00 -0.00 0.00 0.00 31.31 28.65 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 1.88 0.76 0.47 5.87 1.04 -1.26 -1.39 113.70 121.07 1yua s SER 109 Ca 0.83 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 56.73 1yua s SER 109 Cb -0.67 0.93 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 1yua s SER 109 CO 0.42 -0.36 0.75 0.00 0.98 0.00 0.00 173.24 175.02 1yua s ALA 110 N 2.49 3.47 0.03 5.32 0.00 0.16 -2.79 121.76 130.44 1yua s ALA 110 Ca 0.10 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.46 1yua s ALA 110 Cb -0.13 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 1yua s ALA 110 CO -0.31 -0.35 -0.16 -0.06 0.00 0.00 0.00 175.76 174.87 1yua s PHE 111 N -2.68 1.41 -0.51 0.00 0.40 -0.63 -0.42 117.98 115.54 1yua s PHE 111 Ca 0.47 -0.34 -0.21 0.00 -0.60 0.00 0.00 56.93 56.24 1yua s PHE 111 Cb -0.10 -0.85 0.05 0.00 0.51 0.00 0.00 43.02 42.62 1yua s PHE 111 CO 0.43 0.04 0.76 -0.47 0.70 0.00 0.00 175.22 176.68 1yua s TYR 112 N -0.75 2.95 0.00 0.36 6.14 -0.73 0.68 117.35 126.00 1yua s TYR 112 Ca 0.04 -0.24 0.00 0.00 0.64 0.00 0.00 57.07 57.51 1yua s TYR 112 Cb -0.08 -3.74 0.00 0.00 0.42 0.00 0.00 41.96 38.57 1yua s TYR 112 CO 0.01 -1.14 0.00 0.28 0.64 0.00 0.00 175.55 175.34 1yua n VAL 113 N 5.90 0.00 -1.99 3.14 0.31 -0.52 -4.62 118.33 120.55 1yua n VAL 113 Ca -0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.05 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 -1.81 -1.32 0.00 0.00 176.83 173.70 1yua s ASP 114 N -1.00 4.88 -0.86 4.52 1.01 -1.26 -2.87 116.67 121.08 1yua s ASP 114 Ca 0.00 -1.02 0.00 0.00 0.71 0.00 0.00 52.55 52.24 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 -3.11 0.00 0.61 0.21 0.00 0.00 175.17 172.88 1yua n GLY 115 N 6.40 -0.12 2.79 0.21 0.00 -1.26 -4.83 105.19 108.38 1yua n GLY 115 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 1yua n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yua s LYS 116 N -4.42 2.14 0.97 1.61 3.01 -1.14 -5.10 119.74 116.81 1yua s LYS 116 Ca 0.00 -3.09 -0.15 0.00 -1.01 0.00 0.00 55.97 51.72 1yua s LYS 116 Cb 0.00 -3.00 -0.03 0.00 -1.01 0.00 0.00 37.83 33.78 1yua s LYS 116 CO 0.00 -1.31 -0.07 0.91 0.51 0.00 0.00 175.35 175.39 1yua n TRP 117 N 2.15 -2.86 -4.04 3.18 7.02 -1.25 -1.44 117.44 120.21 1yua n TRP 117 Ca 0.22 0.13 -0.14 0.00 -1.02 0.00 0.00 57.50 56.70 1yua n TRP 117 Cb 0.38 -1.65 -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 -2.24 0.00 -0.04 -0.99 -7.23 0.22 -4.71 120.40 105.40 1yua s VAL 118 Ca 0.50 -1.49 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1yua s VAL 118 Cb -0.19 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.11 1yua s VAL 118 CO 0.73 0.00 0.03 -1.61 -0.31 0.00 0.00 175.10 173.95 1yua s GLU 119 N -2.96 0.12 0.22 4.82 8.01 -1.26 -1.61 118.70 126.03 1yua s GLU 119 Ca 0.28 0.25 0.20 0.00 0.01 0.00 0.00 54.97 55.71 1yua s GLU 119 Cb -0.01 -0.56 0.03 0.00 -4.31 0.00 0.00 34.13 29.29 1yua s GLU 119 CO 0.18 -0.27 1.13 0.78 0.01 0.00 0.00 175.26 177.10 1yua h GLY 120 N 8.06 0.00 -5.04 -1.39 0.00 -1.89 -3.49 103.07 99.32 1yua h GLY 120 Ca -0.23 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1yua h GLY 120 CO 0.27 0.00 -1.52 0.28 0.00 0.00 0.00 176.54 175.57 1yua n LYS 121 N -2.87 -4.46 -0.11 4.80 5.02 -1.26 -5.03 118.16 114.24 1yua n LYS 121 Ca -0.01 3.38 0.00 0.00 -2.02 0.00 0.00 58.31 59.65 1yua n LYS 121 Cb 0.64 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.53 1yua n LYS 121 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05