#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 1.64 0.00 6.12 5.15 -1.26 -4.92 115.26 122.00 1yua n ASN 2 Ca 0.00 -1.32 0.00 0.00 -0.60 0.00 0.00 54.58 52.66 1yua n ASN 2 Cb 0.00 0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.91 1yua n ASN 2 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1yua n GLY 3 N 1.43 1.14 3.85 8.20 0.00 -1.26 -5.13 105.19 113.42 1yua n GLY 3 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 4.02 -0.29 1.61 2.02 -1.26 -5.05 118.70 119.74 1yua s GLU 4 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.68 1yua s GLU 4 Cb 0.00 -2.45 0.06 0.00 0.10 0.00 0.00 34.13 31.84 1yua s GLU 4 CO 0.00 0.17 -0.03 0.54 0.02 0.00 0.00 175.26 175.96 1yua s VAL 5 N -1.96 2.65 -0.41 2.63 0.11 -1.26 -4.83 120.40 117.33 1yua s VAL 5 Ca 0.54 -1.58 -0.24 0.00 -2.93 0.00 0.00 61.98 57.76 1yua s VAL 5 Cb -0.11 -2.58 0.03 0.00 -1.53 0.00 0.00 36.38 32.20 1yua s VAL 5 CO 0.18 -0.14 0.57 0.00 -3.33 0.00 0.00 175.10 172.38 1yua n ALA 6 N 4.53 -2.70 -0.73 1.54 0.00 -1.26 -4.89 120.51 116.99 1yua n ALA 6 Ca -0.12 0.76 -0.34 0.00 0.00 0.00 0.00 53.44 53.75 1yua n ALA 6 Cb 0.43 -2.90 0.15 0.00 0.00 0.00 0.00 19.45 17.12 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 -0.14 -1.27 -0.34 0.00 -0.02 -1.26 -4.80 135.00 127.17 1yua n PRO 7 Ca 0.02 -0.36 0.15 0.00 -2.02 0.00 0.00 63.50 61.30 1yua n PRO 7 Cb 0.53 -1.58 0.36 0.00 -0.02 0.00 0.00 33.50 32.79 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 -1.86 0.65 0.00 0.52 0.11 -2.03 -3.43 132.00 125.95 1yua h PRO 8 Ca -0.51 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.38 1yua h PRO 8 Cb 1.36 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1yua h PRO 8 CO 0.35 0.43 -0.16 1.17 -0.21 0.00 0.00 178.00 179.58 1yua n LYS 9 N -4.77 0.51 0.00 1.05 3.00 -1.26 -5.17 118.16 111.52 1yua n LYS 9 Ca 0.24 -1.19 0.00 0.00 -0.00 0.00 0.00 58.31 57.36 1yua n LYS 9 Cb 0.64 0.79 0.00 0.00 0.00 0.00 0.00 35.03 36.47 1yua n LYS 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1yua n GLU 10 N -0.28 0.00 -3.25 1.64 2.13 -1.26 -5.06 120.64 114.57 1yua n GLU 10 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.58 1yua n GLU 10 Cb 0.21 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.86 1yua n GLU 10 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1yua n ASP 11 N 0.00 1.80 0.00 4.31 5.75 -1.26 -4.99 116.55 122.16 1yua n ASP 11 Ca 0.00 -3.06 0.00 0.00 -0.01 0.00 0.00 54.79 51.72 1yua n ASP 11 Cb 0.00 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 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 0.95 0.00 -3.18 0.11 -0.04 -1.26 -4.85 135.00 126.73 1yua n PRO 12 Ca 0.25 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.50 1yua n PRO 12 Cb 0.49 -0.07 -0.04 0.00 -0.04 0.00 0.00 33.50 33.84 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 0.17 -1.62 0.52 0.31 -0.86 -5.03 118.33 111.82 1yua n VAL 13 Ca 0.00 -4.57 -0.48 0.00 -0.01 0.00 0.00 64.34 59.28 1yua n VAL 13 Cb 0.00 -0.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.94 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 0.56 1.54 -2.51 5.55 -0.02 -1.26 -1.34 135.00 137.52 1yua n PRO 14 Ca 0.25 0.55 -0.26 0.00 -2.02 0.00 0.00 63.50 62.01 1yua n PRO 14 Cb 0.58 -2.15 -0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.31 4.57 -0.13 2.45 4.77 -0.80 -4.79 117.00 125.39 1yua n LEU 15 Ca 0.15 -5.18 0.21 0.00 -0.03 0.00 0.00 56.01 51.15 1yua n LEU 15 Cb 0.26 -0.43 0.32 0.00 -2.33 0.00 0.00 43.42 41.24 1yua n LEU 15 CO 0.62 2.22 1.00 -2.65 -1.33 0.00 0.00 177.39 177.25 1yua n PRO 16 N -0.45 0.01 0.00 3.23 -0.02 -1.26 0.53 135.00 137.04 1yua n PRO 16 Ca 0.38 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.68 1yua n PRO 16 Cb 0.65 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 -2.80 0.93 -3.45 -0.52 2.13 -1.26 -4.41 120.64 111.26 1yua n GLU 17 Ca 0.17 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.75 1yua n GLU 17 Cb 1.20 -1.40 -0.12 0.00 0.27 0.00 0.00 31.44 31.40 1yua n GLU 17 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1yua s LEU 18 N 0.00 0.39 0.35 4.31 2.96 0.19 -5.05 118.68 121.82 1yua s LEU 18 Ca 0.00 -1.51 -0.25 0.00 -0.22 0.00 0.00 54.13 52.15 1yua s LEU 18 Cb 0.00 -0.00 -0.13 0.00 0.50 0.00 0.00 46.19 46.55 1yua s LEU 18 CO 0.00 -0.35 0.75 -2.65 -1.32 0.00 0.00 176.35 172.77 1yua n PRO 19 N 4.70 0.83 0.00 0.98 -0.02 -1.26 -1.00 135.00 139.22 1yua n PRO 19 Ca 0.04 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1yua n PRO 19 Cb 0.42 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.29 2.19 -1.41 0.00 2.13 -1.26 -4.76 120.64 116.23 1yua n GLU 21 Ca 0.00 -2.26 -0.15 0.00 0.66 0.00 0.00 57.16 55.42 1yua n GLU 21 Cb 0.00 -1.91 -0.06 0.00 0.27 0.00 0.00 31.44 29.73 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 0.05 -1.39 0.00 5.31 0.00 -1.26 -4.88 118.16 115.98 1yua n LYS 22 Ca 0.43 0.89 0.00 0.00 0.00 0.00 0.00 58.31 59.63 1yua n LYS 22 Cb 0.58 -5.17 0.00 0.00 0.00 0.00 0.00 35.03 30.44 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 -0.74 0.55 0.00 3.14 2.88 -1.26 -4.97 113.62 113.22 1yua n SER 23 Ca -0.15 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.49 1yua n SER 23 Cb 0.51 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.55 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 0.00 0.00 -4.92 -3.46 8.00 -1.26 -4.65 116.55 110.26 1yua n ASP 24 Ca 0.00 -1.30 -0.27 0.00 0.71 0.00 0.00 54.79 53.94 1yua n ASP 24 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 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 -2.00 3.14 0.00 2.24 0.00 -1.26 -4.97 121.76 118.91 1yua s ALA 25 Ca 0.29 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1yua s ALA 25 Cb 0.13 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1yua s ALA 25 CO 0.23 -1.16 0.00 2.48 0.00 0.00 0.00 175.76 177.31 1yua n TYR 26 N -2.86 -0.07 -3.89 0.00 4.11 -1.26 -1.47 117.16 111.72 1yua n TYR 26 Ca 0.07 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.64 1yua n TYR 26 Cb 0.59 0.00 -0.13 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 -2.17 3.50 -0.64 -3.48 0.08 -0.17 -2.55 117.98 112.55 1yua s PHE 27 Ca 0.00 -2.87 -0.26 0.00 0.12 0.00 0.00 56.93 53.92 1yua s PHE 27 Cb 0.00 -3.02 0.04 0.00 -0.57 0.00 0.00 43.02 39.47 1yua s PHE 27 CO 0.00 -0.88 1.15 0.08 -0.10 0.00 0.00 175.22 175.47 1yua s VAL 28 N 0.45 4.03 -0.36 -0.44 1.01 -0.79 -1.90 120.40 122.39 1yua s VAL 28 Ca 0.13 0.47 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 1yua s VAL 28 Cb -0.22 -4.75 -0.09 0.00 0.00 0.00 0.00 36.38 31.32 1yua s VAL 28 CO -0.04 -1.48 2.27 -0.11 0.00 0.00 0.00 175.10 175.74 1yua n LEU 29 N 8.47 2.49 0.00 3.92 7.94 -0.45 -3.07 117.00 136.30 1yua n LEU 29 Ca 0.04 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1yua n LEU 29 Cb 0.48 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1yua n LEU 29 CO 0.69 -0.87 0.00 0.54 -1.11 0.00 0.00 177.39 176.64 1yua n ARG 30 N 8.58 1.61 -3.39 1.96 1.74 0.85 -2.03 116.66 125.98 1yua n ARG 30 Ca 0.38 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 57.29 1yua n ARG 30 Cb 0.36 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.71 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 -0.91 1.52 0.44 0.55 -4.77 -1.26 -2.35 116.67 109.88 1yua s ASP 31 Ca 0.00 -0.87 0.00 0.00 -3.30 0.00 0.00 52.55 48.38 1yua s ASP 31 Cb 0.00 0.55 0.00 0.00 -1.09 0.00 0.00 42.92 42.38 1yua s ASP 31 CO 0.00 -0.37 0.00 0.61 0.70 0.00 0.00 175.17 176.11 1yua n GLY 32 N 5.14 -1.58 1.73 2.12 0.00 -1.16 -4.93 105.19 106.50 1yua n GLY 32 Ca 0.00 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.57 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 3.44 -0.56 4.61 0.00 -1.26 -4.11 120.51 119.64 1yua n ALA 33 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.69 1yua n ALA 33 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1yua n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yua n ALA 34 N 0.92 1.12 0.00 0.00 0.00 -1.26 -5.11 120.51 116.17 1yua n ALA 34 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1yua n ALA 34 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.48 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 -0.01 4.17 3.69 0.00 0.00 -1.26 -4.81 105.19 106.97 1yua n GLY 35 Ca 0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.00 2.06 -0.03 1.61 -7.23 -1.26 -3.01 120.40 110.54 1yua s VAL 36 Ca 0.00 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1yua s VAL 36 Cb 0.00 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1yua s VAL 36 CO 0.00 -0.02 0.00 2.22 -0.31 0.00 0.00 175.10 176.99 1yua n PHE 37 N -4.15 0.00 -3.58 2.82 -1.74 -0.99 -4.49 117.46 105.33 1yua n PHE 37 Ca 0.05 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.66 1yua n PHE 37 Cb 0.57 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.42 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 0.62 0.35 5.98 1.02 -1.26 -0.10 118.68 125.28 1yua s LEU 38 Ca 0.00 -1.10 -0.07 0.00 0.02 0.00 0.00 54.13 52.98 1yua s LEU 38 Cb 0.00 -0.36 -0.05 0.00 0.02 0.00 0.00 46.19 45.79 1yua s LEU 38 CO 0.00 -0.41 0.65 0.00 0.02 0.00 0.00 176.35 176.61 1yua s ALA 39 N 2.07 3.51 0.33 4.21 0.00 -1.17 -4.15 121.76 126.56 1yua s ALA 39 Ca 0.07 -0.45 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 1yua s ALA 39 Cb -0.16 -2.45 -0.09 0.00 0.00 0.00 0.00 23.12 20.41 1yua s ALA 39 CO -0.27 0.10 1.17 0.00 0.00 0.00 0.00 175.76 176.76 1yua s ALA 40 N -2.24 3.36 0.34 0.00 0.00 -1.24 -1.88 121.76 120.10 1yua s ALA 40 Ca 0.47 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.50 1yua s ALA 40 Cb -0.10 -3.38 0.63 0.00 0.00 0.00 0.00 23.12 20.27 1yua s ALA 40 CO 0.32 -0.37 1.82 -2.95 0.00 0.00 0.00 175.76 174.58 1yua h ASN 41 N 3.36 0.27 0.27 0.00 -1.07 -1.83 -1.41 115.58 115.17 1yua h ASN 41 Ca -0.48 -0.08 0.00 0.00 0.07 0.00 0.00 56.30 55.82 1yua h ASN 41 Cb 1.22 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.40 1yua h ASN 41 CO 0.65 0.51 0.00 0.35 0.07 0.00 0.00 177.43 179.01 1yua n THR 42 N -4.17 0.13 -1.11 6.14 -2.24 -1.26 -4.89 114.28 106.88 1yua n THR 42 Ca -0.01 0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.44 1yua n THR 42 Cb 0.35 -0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 1yua n THR 42 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1yua n PHE 43 N -1.17 -1.20 1.55 4.78 -0.00 -0.53 -0.49 117.46 120.40 1yua n PHE 43 Ca 0.15 0.64 0.13 0.00 -0.00 0.00 0.00 57.45 58.36 1yua n PHE 43 Cb 0.15 -1.54 0.75 0.00 -0.00 0.00 0.00 39.48 38.84 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 0.74 -0.66 -7.13 -0.04 -1.26 -4.83 135.00 122.82 1yua n PRO 44 Ca 0.12 0.01 0.50 0.00 -0.04 0.00 0.00 63.50 64.09 1yua n PRO 44 Cb 0.28 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.03 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 -3.15 0.54 3.64 -1.16 -3.18 116.57 113.26 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 0.04 -0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.46 1yua h LYS 45 CO 0.00 0.00 -0.77 -1.54 -2.27 0.00 0.00 179.45 174.87 1yua s SER 46 N -3.97 3.45 -0.31 4.20 1.04 -1.26 -4.99 113.70 111.86 1yua s SER 46 Ca -0.06 -1.24 -0.01 0.00 0.48 0.00 0.00 55.95 55.12 1yua s SER 46 Cb 0.28 -0.52 0.22 0.00 0.10 0.00 0.00 66.02 66.10 1yua s SER 46 CO 0.88 -0.40 1.98 0.54 0.98 0.00 0.00 173.24 177.22 1yua n ARG 47 N 5.11 1.78 -1.26 4.02 1.74 -1.20 -3.63 116.66 123.21 1yua n ARG 47 Ca -0.05 -1.55 -0.20 0.00 -0.77 0.00 0.00 57.85 55.28 1yua n ARG 47 Cb 0.44 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.31 2.20 -3.81 5.56 1.02 -1.26 -4.91 120.64 119.76 1yua n GLU 48 Ca 0.30 -1.75 -0.20 0.00 -0.02 0.00 0.00 57.16 55.48 1yua n GLU 48 Cb 0.61 -2.05 -0.02 0.00 -0.02 0.00 0.00 31.44 29.96 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 -0.92 4.60 0.00 2.62 -4.23 -1.26 -4.64 115.64 111.81 1yua s THR 49 Ca 0.60 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1yua s THR 49 Cb 0.35 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1yua s THR 49 CO -0.12 -0.26 0.00 0.54 -0.54 0.00 0.00 174.62 174.23 1yua n ARG 50 N -1.45 0.00 -3.59 3.99 1.74 -1.26 -4.96 116.66 111.13 1yua n ARG 50 Ca -0.05 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.90 1yua n ARG 50 Cb 0.58 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.97 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yua s ALA 51 N -1.00 -1.19 -0.33 7.54 0.00 -1.26 -4.32 121.76 121.20 1yua s ALA 51 Ca 0.00 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 1yua s ALA 51 Cb 0.00 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.66 1yua s ALA 51 CO 0.00 -0.57 1.30 -1.25 0.00 0.00 0.00 175.76 175.23 1yua s PRO 52 N -3.02 3.85 0.33 0.00 0.04 -1.26 -4.69 135.00 130.25 1yua s PRO 52 Ca -0.02 1.13 -0.27 0.00 0.04 0.00 0.00 61.00 61.88 1yua s PRO 52 Cb 0.00 -3.90 -0.13 0.00 0.04 0.00 0.00 34.50 30.51 1yua s PRO 52 CO -0.06 -1.20 1.07 -0.11 0.04 0.00 0.00 177.00 176.73 1yua n LEU 53 N 7.80 2.31 -0.08 -3.56 0.00 -1.26 -2.14 117.00 120.08 1yua n LEU 53 Ca 0.15 1.16 -0.07 0.00 0.00 0.00 0.00 56.01 57.25 1yua n LEU 53 Cb 0.47 -1.34 -0.01 0.00 0.00 0.00 0.00 43.42 42.54 1yua n LEU 53 CO 0.65 -1.23 0.81 0.58 0.00 0.00 0.00 177.39 178.19 1yua h VAL 54 N 2.01 0.70 -0.54 1.96 2.07 -1.70 0.46 116.25 121.22 1yua h VAL 54 Ca -0.42 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1yua h VAL 54 Cb 1.33 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1yua h VAL 54 CO 0.60 0.00 0.36 1.05 0.02 0.00 0.00 177.57 179.60 1yua h GLU 55 N -0.00 0.63 -0.41 1.57 4.11 -1.83 -0.56 114.58 118.09 1yua h GLU 55 Ca 0.15 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.48 1yua h GLU 55 Cb 0.22 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1yua h GLU 55 CO -0.31 0.42 -0.00 0.93 0.07 0.00 0.00 179.01 180.11 1yua h GLU 56 N 0.65 0.66 -0.70 1.06 4.39 -1.29 -1.35 114.58 118.00 1yua h GLU 56 Ca 0.21 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1yua h GLU 56 Cb 0.04 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1yua h GLU 56 CO -0.05 0.68 0.22 1.25 -1.16 0.00 0.00 179.01 179.94 1yua h LEU 57 N 0.62 1.01 -0.70 1.33 7.12 0.19 -2.09 115.31 122.80 1yua h LEU 57 Ca 0.13 -0.21 -0.13 0.00 0.13 0.00 0.00 57.88 57.80 1yua h LEU 57 Cb 0.39 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.25 1yua h LEU 57 CO 0.01 0.95 -0.44 0.22 -0.13 0.00 0.00 178.44 179.05 1yua h TYR 58 N 1.02 0.57 0.00 1.25 3.20 -1.07 -2.16 116.97 119.79 1yua h TYR 58 Ca 0.22 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 1yua h TYR 58 Cb 0.30 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1yua h TYR 58 CO 0.02 0.84 -0.24 -0.09 -1.64 0.00 0.00 178.16 177.05 1yua h ARG 59 N 0.39 0.00 -0.51 1.82 2.43 -0.86 -2.56 114.38 115.09 1yua h ARG 59 Ca 0.03 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.89 1yua h ARG 59 Cb 0.93 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.30 1yua h ARG 59 CO 0.08 0.24 -0.05 1.19 -1.51 0.00 0.00 179.97 179.92 1yua n PHE 60 N -3.94 1.65 0.12 2.20 3.01 -0.82 -4.65 117.46 115.03 1yua n PHE 60 Ca -0.02 -1.86 0.02 0.00 1.01 0.00 0.00 57.45 56.61 1yua n PHE 60 Cb 0.32 -0.60 0.38 0.00 -0.01 0.00 0.00 39.48 39.57 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 1.26 0.22 0.00 -1.08 1.12 -0.96 -0.89 114.38 114.04 1yua h ARG 61 Ca 0.31 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 59.13 1yua h ARG 61 Cb 1.64 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.58 1yua h ARG 61 CO 0.61 0.39 0.00 -0.44 -3.11 0.00 0.00 179.97 177.41 1yua h ASP 62 N 0.20 0.00 -0.18 -3.80 3.32 -1.84 -1.81 116.42 112.32 1yua h ASP 62 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1yua h ASP 62 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1yua h ASP 62 CO 0.03 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.09 1yua n ARG 63 N -2.73 2.92 -2.04 3.56 1.74 -0.44 -4.99 116.66 114.68 1yua n ARG 63 Ca -0.00 -1.80 -0.43 0.00 -0.77 0.00 0.00 57.85 54.85 1yua n ARG 63 Cb 0.19 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 1yua n ARG 63 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1yua s LEU 64 N -1.03 3.96 0.00 0.55 0.20 -0.59 -4.84 118.68 116.92 1yua s LEU 64 Ca 0.12 1.79 0.00 0.00 0.69 0.00 0.00 54.13 56.74 1yua s LEU 64 Cb 0.07 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.30 1yua s LEU 64 CO 0.08 -1.24 0.47 -0.81 -0.29 0.00 0.00 176.35 174.56 1yua n PRO 65 N 7.64 0.91 0.00 0.98 -0.04 -1.26 -4.82 135.00 138.40 1yua n PRO 65 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1yua n PRO 65 Cb 0.45 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.03 0.00 0.00 0.54 2.13 -1.26 -4.73 120.64 117.35 1yua n GLU 66 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 1yua n GLU 66 Cb 0.22 -2.22 0.31 0.00 0.27 0.00 0.00 31.44 30.02 1yua n GLU 66 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yua n LYS 67 N -1.52 0.43 -0.42 5.31 4.81 -1.26 -2.59 118.16 122.92 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 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 33.67 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1yua n LEU 68 N -0.88 0.00 0.08 3.14 4.32 -1.26 -4.95 117.00 117.45 1yua n LEU 68 Ca 0.08 -0.87 -0.14 0.00 -0.02 0.00 0.00 56.01 55.05 1yua n LEU 68 Cb 0.04 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.75 1yua n LEU 68 CO 0.06 0.55 0.51 -0.09 -1.22 0.00 0.00 177.39 177.20 1yua h ARG 69 N 0.00 -0.62 -1.05 3.23 2.43 -1.88 0.56 114.38 117.05 1yua h ARG 69 Ca 0.00 0.04 0.30 0.00 -0.81 0.00 0.00 59.98 59.52 1yua h ARG 69 Cb 1.17 0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 30.74 1yua h ARG 69 CO 0.00 -0.41 0.64 0.10 -1.51 0.00 0.00 179.97 178.79 1yua h TYR 70 N -0.64 0.83 -0.54 2.20 -0.00 -1.93 0.49 116.97 117.38 1yua h TYR 70 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.75 1yua h TYR 70 Cb 0.66 -0.23 -0.03 0.00 0.00 0.00 0.00 36.73 37.13 1yua h TYR 70 CO -0.46 -0.06 0.28 -0.07 -0.00 0.00 0.00 178.16 177.86 1yua h LEU 71 N 0.38 0.69 0.00 0.10 3.38 -1.31 -0.55 115.31 117.99 1yua h LEU 71 Ca 0.69 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.55 1yua h LEU 71 Cb 1.64 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1yua h LEU 71 CO -0.47 0.60 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1yua n ALA 72 N -2.30 2.13 1.02 1.53 0.00 0.16 -2.39 120.51 120.65 1yua n ALA 72 Ca 0.03 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1yua n ALA 72 Cb 0.10 -1.37 0.08 0.00 0.00 0.00 0.00 19.45 18.26 1yua n ALA 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yua n ASP 73 N -1.35 0.90 -4.88 0.00 8.00 -0.26 -4.63 116.55 114.32 1yua n ASP 73 Ca 0.09 -0.74 -0.30 0.00 0.71 0.00 0.00 54.79 54.55 1yua n ASP 73 Cb 0.21 0.58 0.01 0.00 -0.02 0.00 0.00 41.12 41.90 1yua n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yua s ALA 74 N -2.91 3.18 0.96 2.24 0.00 -0.91 -5.02 121.76 119.30 1yua s ALA 74 Ca 0.12 -0.25 -0.13 0.00 0.00 0.00 0.00 51.96 51.69 1yua s ALA 74 Cb 0.17 -2.92 0.04 0.00 0.00 0.00 0.00 23.12 20.41 1yua s ALA 74 CO 0.75 -0.64 0.35 -2.30 0.00 0.00 0.00 175.76 173.92 1yua n PRO 75 N -2.63 -0.38 -2.64 0.00 -0.02 -1.26 -4.89 135.00 123.18 1yua n PRO 75 Ca 0.04 -0.07 -0.06 0.00 -2.02 0.00 0.00 63.50 61.39 1yua n PRO 75 Cb 0.55 -1.83 0.04 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.64 2.15 0.00 -0.52 10.64 -1.26 -4.70 117.38 122.04 1yua n GLN 76 Ca 0.06 -3.66 0.00 0.00 -1.83 0.00 0.00 57.00 51.57 1yua n GLN 76 Cb 0.54 -1.75 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 1yua n GLN 76 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yua n GLN 77 N -0.59 0.00 -1.07 2.61 10.64 -1.26 -2.32 117.38 125.40 1yua n GLN 77 Ca 0.16 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.45 1yua n GLN 77 Cb 0.84 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 30.17 1yua n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1yua n ASP 78 N 0.00 -5.57 -0.32 2.61 5.75 -1.24 -0.97 116.55 116.81 1yua n ASP 78 Ca 0.00 0.60 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 1yua n ASP 78 Cb 0.00 -3.43 0.00 0.00 -1.03 0.00 0.00 41.12 36.66 1yua n ASP 78 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1yua n PRO 79 N -3.35 0.75 0.00 0.11 -0.04 -1.26 -3.37 135.00 127.84 1yua n PRO 79 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1yua n PRO 79 Cb 0.62 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1yua n PRO 79 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yua n GLU 80 N -0.09 0.00 0.00 0.54 2.13 -1.24 -5.05 120.64 116.93 1yua n GLU 80 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1yua n GLU 80 Cb 0.12 -0.89 0.00 0.00 0.27 0.00 0.00 31.44 30.94 1yua n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yua n GLY 81 N 3.16 1.82 3.51 8.31 0.00 -0.14 -5.07 105.19 116.79 1yua n GLY 81 Ca 0.00 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 0.42 -2.75 1.61 3.02 -0.98 -4.64 115.26 111.93 1yua n ASN 82 Ca 0.00 -0.14 -0.26 0.00 -0.03 0.00 0.00 54.58 54.15 1yua n ASN 82 Cb 0.00 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 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 8.10 0.00 -4.56 3.52 5.02 -1.26 -3.59 118.16 125.39 1yua n LYS 83 Ca 0.60 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.64 1yua n LYS 83 Cb 0.16 -0.64 -0.17 0.00 -0.02 0.00 0.00 35.03 34.36 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 -1.20 1.21 0.34 -0.18 2.01 -0.98 -1.02 115.64 115.83 1yua s THR 84 Ca 0.37 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.94 1yua s THR 84 Cb -0.36 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1yua s THR 84 CO 0.42 0.37 0.37 0.00 -0.69 0.00 0.00 174.62 175.09 1yua s MET 85 N 0.75 2.87 0.33 4.92 0.23 -1.02 -2.22 119.30 125.16 1yua s MET 85 Ca -0.13 -1.19 -0.22 0.00 -1.03 0.00 0.00 55.69 53.12 1yua s MET 85 Cb -0.16 -2.61 -0.10 0.00 -1.53 0.00 0.00 34.83 30.44 1yua s MET 85 CO 0.03 0.07 0.87 0.08 -2.03 0.00 0.00 175.02 174.04 1yua s VAL 86 N -2.26 4.40 0.01 5.16 1.01 -0.91 -1.28 120.40 126.53 1yua s VAL 86 Ca 0.43 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1yua s VAL 86 Cb -0.07 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1yua s VAL 86 CO 0.28 -0.03 0.00 0.54 0.00 0.00 0.00 175.10 175.90 1yua n ARG 87 N 0.11 0.63 -3.88 2.72 5.12 0.20 -4.42 116.66 117.13 1yua n ARG 87 Ca 0.03 -0.08 -0.12 0.00 -1.93 0.00 0.00 57.85 55.75 1yua n ARG 87 Cb 0.52 0.05 -0.13 0.00 -1.16 0.00 0.00 32.46 31.74 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 -1.72 0.02 -0.09 -1.55 2.19 -1.26 -2.03 117.98 113.53 1yua s PHE 88 Ca 0.01 -0.02 0.04 0.00 0.33 0.00 0.00 56.93 57.28 1yua s PHE 88 Cb 0.00 -0.02 -0.01 0.00 -1.31 0.00 0.00 43.02 41.68 1yua s PHE 88 CO 0.00 -0.05 -0.22 -1.12 1.83 0.00 0.00 175.22 175.67 1yua s SER 89 N -0.24 3.32 0.14 6.13 0.01 -0.72 -4.84 113.70 117.50 1yua s SER 89 Ca -0.03 -0.48 0.24 0.00 1.31 0.00 0.00 55.95 56.99 1yua s SER 89 Cb -0.02 -1.27 0.22 0.00 0.21 0.00 0.00 66.02 65.16 1yua s SER 89 CO -0.00 0.19 1.22 -0.09 0.41 0.00 0.00 173.24 174.97 1yua h ARG 90 N 6.47 0.00 0.00 12.44 2.43 -1.92 0.10 114.38 133.90 1yua h ARG 90 Ca -0.25 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.90 1yua h ARG 90 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1yua h ARG 90 CO 0.49 0.00 -0.09 0.87 -1.51 0.00 0.00 179.97 179.73 1yua h LYS 91 N 0.00 0.00 0.00 0.20 6.56 -1.98 -3.21 116.57 118.14 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 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 1yua h LYS 91 CO 0.00 0.09 0.00 0.25 -2.06 0.00 0.00 179.45 177.73 1yua n THR 92 N -3.49 0.00 -3.78 -0.16 -2.24 -1.24 -5.03 114.28 98.33 1yua n THR 92 Ca -0.02 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1yua n THR 92 Cb 0.23 1.25 0.03 0.00 -2.10 0.00 0.00 70.33 69.74 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 -1.50 -2.29 -0.78 5.02 0.31 -4.96 118.16 113.96 1yua n LYS 93 Ca 0.00 0.40 -0.03 0.00 -2.02 0.00 0.00 58.31 56.66 1yua n LYS 93 Cb 0.43 -3.99 -0.01 0.00 -0.02 0.00 0.00 35.03 31.44 1yua n LYS 93 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1yua n GLN 94 N -4.34 0.28 -4.59 1.97 6.02 -0.93 -4.96 117.38 110.83 1yua n GLN 94 Ca -0.14 -0.43 -0.33 0.00 -0.01 0.00 0.00 57.00 56.09 1yua n GLN 94 Cb 0.61 0.32 -0.13 0.00 1.02 0.00 0.00 30.24 32.06 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 -2.18 3.33 -0.06 -1.09 -1.52 -1.26 -1.75 119.66 115.13 1yua s GLN 95 Ca 0.04 -0.59 0.01 0.00 -1.95 0.00 0.00 55.36 52.87 1yua s GLN 95 Cb 0.00 -2.73 0.02 0.00 -0.22 0.00 0.00 33.01 30.08 1yua s GLN 95 CO 0.03 0.34 -0.05 1.52 -0.25 0.00 0.00 175.29 176.88 1yua s TYR 96 N 0.05 0.94 0.58 0.91 -0.85 -0.86 -1.59 117.35 116.53 1yua s TYR 96 Ca -0.02 -0.32 -0.03 0.00 -0.52 0.00 0.00 57.07 56.17 1yua s TYR 96 Cb -0.14 -0.83 0.02 0.00 0.38 0.00 0.00 41.96 41.39 1yua s TYR 96 CO 0.03 -0.28 0.85 0.14 -1.52 0.00 0.00 175.55 174.78 1yua s VAL 97 N 1.19 3.29 -0.18 -3.49 -7.23 0.17 0.58 120.40 114.72 1yua s VAL 97 Ca -0.06 -0.27 -0.08 0.00 -1.81 0.00 0.00 61.98 59.75 1yua s VAL 97 Cb -0.14 -3.29 0.07 0.00 0.56 0.00 0.00 36.38 33.58 1yua s VAL 97 CO -0.02 -0.27 0.42 -0.55 -0.31 0.00 0.00 175.10 174.38 1yua s SER 98 N -4.35 -0.39 -0.03 4.85 0.15 -0.41 0.28 113.70 113.81 1yua s SER 98 Ca 0.54 0.95 -0.30 0.00 0.70 0.00 0.00 55.95 57.84 1yua s SER 98 Cb -0.10 1.05 -0.05 0.00 -1.71 0.00 0.00 66.02 65.20 1yua s SER 98 CO 0.42 -0.21 1.47 -0.94 1.20 0.00 0.00 173.24 175.18 1yua s SER 99 N 1.99 6.80 -0.16 5.45 1.04 -0.28 -2.44 113.70 126.09 1yua s SER 99 Ca -0.06 2.12 -0.00 0.00 0.48 0.00 0.00 55.95 58.49 1yua s SER 99 Cb -0.10 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.51 1yua s SER 99 CO -0.13 -0.79 -0.06 -0.70 0.98 0.00 0.00 173.24 172.55 1yua s GLU 100 N 2.95 1.46 0.00 4.02 -6.30 -0.19 -3.55 118.70 117.10 1yua s GLU 100 Ca 0.66 -0.52 0.00 0.00 -2.50 0.00 0.00 54.97 52.61 1yua s GLU 100 Cb -0.31 -2.00 0.00 0.00 0.00 0.00 0.00 34.13 31.81 1yua s GLU 100 CO 0.26 -0.42 0.00 1.63 0.02 0.00 0.00 175.26 176.75 1yua n LYS 101 N 4.87 0.14 0.17 4.30 5.02 -1.26 -4.51 118.16 126.89 1yua n LYS 101 Ca -0.12 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.27 1yua n LYS 101 Cb 0.48 0.00 0.53 0.00 -0.02 0.00 0.00 35.03 36.02 1yua n LYS 101 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1yua n ASP 102 N -1.24 0.51 0.00 4.39 -0.08 -1.26 -4.30 116.55 114.58 1yua n ASP 102 Ca 0.00 0.71 0.00 0.00 -1.51 0.00 0.00 54.79 53.99 1yua n ASP 102 Cb 0.00 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 42.71 1yua n ASP 102 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yua n GLY 103 N -1.29 -0.40 0.00 0.27 0.00 -1.26 -5.04 105.19 97.47 1yua n GLY 103 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.02 -3.42 1.61 0.00 -1.26 -5.07 118.16 110.04 1yua n LYS 104 Ca 0.00 -0.29 -0.33 0.00 -0.00 0.00 0.00 58.31 57.69 1yua n LYS 104 Cb 0.00 -0.51 0.03 0.00 -0.00 0.00 0.00 35.03 34.56 1yua n LYS 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yua n ALA 105 N -0.00 -2.35 -1.00 0.58 0.00 -1.26 -4.87 120.51 111.60 1yua n ALA 105 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1yua n ALA 105 Cb 0.38 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.08 0.00 -1.56 0.00 -2.24 -1.23 -4.93 114.28 104.24 1yua n THR 106 Ca -0.06 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1yua n THR 106 Cb 0.65 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.00 -0.05 3.62 3.38 0.00 -1.26 -5.07 105.19 105.80 1yua n GLY 107 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1yua n GLY 107 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1yua s TRP 108 N 0.00 3.15 -0.29 1.61 -0.00 -1.26 -4.38 118.94 117.77 1yua s TRP 108 Ca 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 56.10 56.14 1yua s TRP 108 Cb 0.00 -1.92 0.16 0.00 -0.00 0.00 0.00 33.47 31.71 1yua s TRP 108 CO 0.00 0.24 0.40 -1.54 -0.00 0.00 0.00 176.95 176.05 1yua s SER 109 N -0.18 0.48 0.36 5.86 1.04 -1.26 -1.13 113.70 118.88 1yua s SER 109 Ca 0.05 -0.44 -0.08 0.00 0.48 0.00 0.00 55.95 55.96 1yua s SER 109 Cb -0.12 1.06 -0.06 0.00 0.10 0.00 0.00 66.02 67.00 1yua s SER 109 CO 0.02 -0.35 0.68 0.00 0.98 0.00 0.00 173.24 174.56 1yua s ALA 110 N 2.50 3.47 -0.02 5.32 0.00 0.14 -2.02 121.76 131.16 1yua s ALA 110 Ca 0.10 -0.39 0.06 0.00 0.00 0.00 0.00 51.96 51.73 1yua s ALA 110 Cb -0.12 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 1yua s ALA 110 CO -0.30 0.06 -0.19 -0.06 0.00 0.00 0.00 175.76 175.27 1yua s PHE 111 N -2.29 1.73 -0.57 0.00 0.40 -0.80 -0.66 117.98 115.80 1yua s PHE 111 Ca 0.48 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 56.24 1yua s PHE 111 Cb -0.10 -1.12 0.05 0.00 0.51 0.00 0.00 43.02 42.36 1yua s PHE 111 CO 0.32 -0.03 0.90 -0.47 0.70 0.00 0.00 175.22 176.63 1yua s TYR 112 N -0.44 2.81 0.00 0.36 5.04 -0.62 0.47 117.35 124.97 1yua s TYR 112 Ca 0.07 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 1yua s TYR 112 Cb -0.08 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 38.20 1yua s TYR 112 CO -0.01 -1.37 0.00 0.28 -1.34 0.00 0.00 175.55 173.12 1yua n VAL 113 N 6.05 0.00 -2.03 3.14 0.31 -0.46 -4.69 118.33 120.65 1yua n VAL 113 Ca -0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.06 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 -0.62 -1.32 0.00 0.00 176.83 174.89 1yua s ASP 114 N -1.00 5.01 -0.97 4.52 -1.08 -1.26 -2.88 116.67 119.01 1yua s ASP 114 Ca 0.00 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1yua s ASP 114 CO 0.00 -2.96 0.00 0.61 0.52 0.00 0.00 175.17 173.34 1yua n GLY 115 N 6.44 0.04 2.73 2.66 0.00 -1.26 -4.83 105.19 110.96 1yua n GLY 115 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 1yua n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yua n LYS 116 N -2.37 1.52 -0.77 1.61 4.01 -1.14 -5.10 118.16 115.92 1yua n LYS 116 Ca -0.12 -4.19 -0.33 0.00 -0.51 0.00 0.00 58.31 53.17 1yua n LYS 116 Cb 0.50 -2.12 0.13 0.00 -0.51 0.00 0.00 35.03 33.03 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 2.02 -1.04 -3.77 2.13 7.02 -1.25 -1.35 117.44 121.20 1yua n TRP 117 Ca 0.23 0.26 -0.06 0.00 -1.02 0.00 0.00 57.50 56.91 1yua n TRP 117 Cb 0.39 -1.82 -0.01 0.00 -2.42 0.00 0.00 31.31 27.45 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 -3.74 0.00 -3.58 -0.99 0.24 0.18 -4.75 118.33 105.69 1yua n VAL 118 Ca 0.08 -0.71 -0.09 0.00 -2.04 0.00 0.00 64.34 61.58 1yua n VAL 118 Cb 0.53 0.43 -0.09 0.00 -1.47 0.00 0.00 33.84 33.24 1yua n VAL 118 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1yua s GLU 119 N -2.32 0.31 0.00 7.34 -1.05 -1.26 -1.90 118.70 119.83 1yua s GLU 119 Ca 0.11 0.88 0.00 0.00 -0.15 0.00 0.00 54.97 55.82 1yua s GLU 119 Cb -0.00 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1yua s GLU 119 CO 0.08 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.35 1yua n GLY 120 N 5.38 1.32 2.73 -3.83 0.00 -0.86 -4.98 105.19 104.96 1yua n GLY 120 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1yua n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yua s LYS 121 N 3.37 0.54 0.00 1.61 1.02 -1.26 -4.59 119.74 120.42 1yua s LYS 121 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1yua s LYS 121 Cb 0.00 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 1yua s LYS 121 CO 0.00 -0.67 0.00 1.63 -0.92 0.00 0.00 175.35 175.39