#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 -1.17 0.00 6.12 3.02 -1.26 -5.14 115.26 116.84 1yua n ASN 2 Ca 0.00 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1yua n ASN 2 Cb 0.00 0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 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 -1.13 1.06 0.02 7.41 0.00 -1.26 -4.84 105.19 106.45 1yua n GLY 3 Ca -0.16 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.17 1yua n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yua n GLU 4 N 1.12 2.53 -3.60 1.61 4.07 -1.26 -5.02 120.64 120.09 1yua n GLU 4 Ca 0.00 -1.70 -0.15 0.00 -0.06 0.00 0.00 57.16 55.25 1yua n GLU 4 Cb 0.00 -1.09 -0.07 0.00 -0.06 0.00 0.00 31.44 30.22 1yua n GLU 4 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1yua s VAL 5 N -1.37 0.00 -0.09 6.31 -7.23 -1.26 -5.04 120.40 111.72 1yua s VAL 5 Ca 0.07 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.23 1yua s VAL 5 Cb 0.06 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.00 1yua s VAL 5 CO 0.01 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 174.81 1yua n ALA 6 N 2.15 -2.34 -1.25 1.32 0.00 -1.26 -4.92 120.51 114.21 1yua n ALA 6 Ca -0.15 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1yua n ALA 6 Cb 0.56 -0.83 0.18 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.03 0.26 0.66 0.00 0.04 -1.26 -5.04 135.00 128.62 1yua s PRO 7 Ca -0.01 0.33 -0.11 0.00 0.04 0.00 0.00 61.00 61.25 1yua s PRO 7 Cb 0.00 -1.73 0.16 0.00 0.04 0.00 0.00 34.50 32.97 1yua s PRO 7 CO 0.23 -2.81 0.57 -0.35 0.04 0.00 0.00 177.00 174.69 1yua n PRO 8 N -4.20 -2.21 -1.92 0.56 -0.04 -1.26 -4.85 135.00 121.09 1yua n PRO 8 Ca 0.07 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1yua n PRO 8 Cb 0.58 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 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 -3.31 -5.27 -2.94 0.54 3.00 -1.26 -4.82 118.16 104.10 1yua n LYS 9 Ca 0.08 3.77 -0.35 0.00 -0.00 0.00 0.00 58.31 61.81 1yua n LYS 9 Cb 0.31 -4.09 -0.02 0.00 0.00 0.00 0.00 35.03 31.23 1yua n LYS 9 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1yua n GLU 10 N 1.16 4.14 -3.15 1.64 0.28 -1.26 -4.80 120.64 118.65 1yua n GLU 10 Ca 0.00 -4.70 -0.21 0.00 -0.16 0.00 0.00 57.16 52.09 1yua n GLU 10 Cb 0.00 -2.38 -0.04 0.00 1.43 0.00 0.00 31.44 30.45 1yua n GLU 10 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1yua n ASP 11 N 0.38 1.71 -0.05 -1.84 9.92 -1.26 -4.92 116.55 120.49 1yua n ASP 11 Ca 0.35 -3.14 -0.00 0.00 -0.53 0.00 0.00 54.79 51.47 1yua n ASP 11 Cb 0.34 -0.61 -0.00 0.00 -0.64 0.00 0.00 41.12 40.20 1yua n ASP 11 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1yua h PRO 12 N 3.19 0.00 -1.34 -0.24 0.13 -1.87 -3.43 132.00 128.44 1yua h PRO 12 Ca 0.11 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.83 1yua h PRO 12 Cb 0.84 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.65 1yua h PRO 12 CO 0.58 0.01 -0.94 0.28 -0.23 0.00 0.00 178.00 177.71 1yua n VAL 13 N -4.78 -0.18 -1.59 1.56 0.31 -1.23 -4.94 118.33 107.48 1yua n VAL 13 Ca -0.00 -3.50 -0.53 0.00 -0.01 0.00 0.00 64.34 60.31 1yua n VAL 13 Cb 0.01 0.09 -0.06 0.00 -0.91 0.00 0.00 33.84 32.97 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 0.54 1.10 -2.55 5.55 -0.02 -1.26 0.22 135.00 138.58 1yua n PRO 14 Ca 0.18 0.40 -0.28 0.00 -2.02 0.00 0.00 63.50 61.78 1yua n PRO 14 Cb 0.65 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.61 4.97 -0.25 2.45 4.77 0.21 -4.79 117.00 126.97 1yua n LEU 15 Ca 0.19 -5.31 0.14 0.00 -0.03 0.00 0.00 56.01 51.00 1yua n LEU 15 Cb 0.18 -0.55 0.26 0.00 -2.33 0.00 0.00 43.42 40.98 1yua n LEU 15 CO 0.63 2.22 0.63 -2.65 -1.33 0.00 0.00 177.39 176.89 1yua n PRO 16 N -0.42 -0.06 -0.17 3.23 -0.02 -1.26 0.10 135.00 136.41 1yua n PRO 16 Ca 0.39 1.08 -0.09 0.00 -2.02 0.00 0.00 63.50 62.86 1yua n PRO 16 Cb 0.55 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.23 1yua n PRO 16 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1yua h GLU 17 N 0.00 -0.26 -5.67 -0.52 4.81 -1.97 -3.31 114.58 107.66 1yua h GLU 17 Ca 0.48 0.02 -0.62 0.00 -0.13 0.00 0.00 59.36 59.11 1yua h GLU 17 Cb 1.07 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 30.39 1yua h GLU 17 CO -0.66 -0.17 0.29 -1.17 -0.73 0.00 0.00 179.01 176.56 1yua s LEU 18 N -10.55 4.18 0.95 1.64 2.96 0.29 -5.04 118.68 113.10 1yua s LEU 18 Ca -0.14 0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 53.94 1yua s LEU 18 Cb 0.13 -2.93 0.16 0.00 0.50 0.00 0.00 46.19 44.04 1yua s LEU 18 CO 0.66 -0.67 1.09 -2.16 -1.32 0.00 0.00 176.35 173.95 1yua s PRO 19 N 2.93 0.85 0.00 0.98 0.04 -1.25 -2.89 135.00 135.66 1yua s PRO 19 Ca 0.29 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1yua s PRO 19 Cb -0.14 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1yua s PRO 19 CO 0.16 -2.49 0.00 0.00 0.04 0.00 0.00 177.00 174.71 1yua n GLU 21 N -0.96 2.74 -1.51 0.00 1.02 -1.26 -4.85 120.64 115.81 1yua n GLU 21 Ca 0.00 -3.41 -0.13 0.00 -0.02 0.00 0.00 57.16 53.60 1yua n GLU 21 Cb 0.00 -2.24 -0.05 0.00 -0.02 0.00 0.00 31.44 29.13 1yua n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1yua n LYS 22 N -0.93 -1.40 0.00 3.49 3.00 -1.26 -4.88 118.16 116.18 1yua n LYS 22 Ca 0.57 0.77 0.00 0.00 -0.00 0.00 0.00 58.31 59.65 1yua n LYS 22 Cb 0.88 -5.06 0.00 0.00 0.00 0.00 0.00 35.03 30.85 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 -0.67 0.74 -0.39 3.14 2.88 -1.26 -4.97 113.62 113.08 1yua n SER 23 Ca -0.14 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.43 1yua n SER 23 Cb 0.46 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.99 1yua n SER 23 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1yua n ASP 24 N 0.00 1.08 -4.88 -3.46 5.75 -1.26 -4.82 116.55 108.96 1yua n ASP 24 Ca 0.00 -2.04 -0.30 0.00 -0.01 0.00 0.00 54.79 52.44 1yua n ASP 24 Cb 0.00 -0.19 -0.05 0.00 -1.03 0.00 0.00 41.12 39.85 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yua s ALA 25 N -1.71 3.87 0.00 2.12 0.00 -1.26 -4.90 121.76 119.88 1yua s ALA 25 Ca 0.11 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1yua s ALA 25 Cb 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1yua s ALA 25 CO 0.07 0.76 0.00 2.48 0.00 0.00 0.00 175.76 179.06 1yua n TYR 26 N 0.19 0.00 -3.51 0.00 0.18 -1.26 -3.03 117.16 109.73 1yua n TYR 26 Ca -0.06 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.30 1yua n TYR 26 Cb 0.52 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.43 1yua n TYR 26 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1yua s PHE 27 N -0.20 3.77 -1.15 -3.48 0.08 -1.14 -1.21 117.98 114.65 1yua s PHE 27 Ca 0.00 -2.55 -0.22 0.00 0.12 0.00 0.00 56.93 54.28 1yua s PHE 27 Cb 0.00 -3.52 -0.04 0.00 -0.57 0.00 0.00 43.02 38.90 1yua s PHE 27 CO 0.00 -0.88 1.86 0.14 -0.10 0.00 0.00 175.22 176.23 1yua s VAL 28 N -0.48 3.68 -0.95 -0.44 -7.23 -0.70 -0.62 120.40 113.67 1yua s VAL 28 Ca 0.22 -1.03 -0.24 0.00 -1.81 0.00 0.00 61.98 59.11 1yua s VAL 28 Cb -0.12 -4.65 -0.24 0.00 0.56 0.00 0.00 36.38 31.93 1yua s VAL 28 CO -0.08 -1.28 2.51 -0.11 -0.31 0.00 0.00 175.10 175.83 1yua n LEU 29 N 12.58 0.04 0.00 1.32 7.94 0.13 -3.63 117.00 135.39 1yua n LEU 29 Ca 0.44 -0.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 1yua n LEU 29 Cb 0.47 -0.90 0.00 0.00 0.53 0.00 0.00 43.42 43.52 1yua n LEU 29 CO 0.68 -1.08 0.00 -1.14 -1.11 0.00 0.00 177.39 174.74 1yua n ARG 30 N 7.72 1.46 -3.52 1.96 0.63 0.81 -3.51 116.66 122.21 1yua n ARG 30 Ca 0.63 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 57.31 1yua n ARG 30 Cb 0.12 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.89 1yua n ARG 30 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1yua s ASP 31 N -1.00 2.84 0.08 6.15 -4.77 -1.26 -2.25 116.67 116.47 1yua s ASP 31 Ca 0.00 -1.02 0.00 0.00 -3.30 0.00 0.00 52.55 48.23 1yua s ASP 31 Cb 0.00 -0.10 0.00 0.00 -1.09 0.00 0.00 42.92 41.73 1yua s ASP 31 CO 0.00 -0.41 0.00 0.61 0.70 0.00 0.00 175.17 176.07 1yua n GLY 32 N 5.27 -3.19 1.88 2.12 0.00 -1.01 -4.87 105.19 105.38 1yua n GLY 32 Ca -0.05 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1yua n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yua n ALA 33 N -3.00 4.88 0.00 4.61 0.00 -1.26 -4.47 120.51 121.26 1yua n ALA 33 Ca 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.71 1yua n ALA 33 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.78 1.13 -3.23 0.00 0.00 -1.26 -5.14 120.51 111.23 1yua n ALA 34 Ca 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 1yua n ALA 34 Cb 1.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.83 1yua n ALA 34 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1yua s GLY 35 N -2.10 -0.14 0.10 0.00 0.00 -1.26 -4.85 107.32 99.08 1yua s GLY 35 Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 44.72 44.28 1yua s GLY 35 CO 0.00 -0.26 0.84 -1.34 0.00 0.00 0.00 173.10 172.34 1yua s VAL 36 N -3.85 4.54 0.10 1.40 -7.23 -1.26 -2.41 120.40 111.68 1yua s VAL 36 Ca 0.08 1.82 0.01 0.00 -1.81 0.00 0.00 61.98 62.07 1yua s VAL 36 Cb -0.00 -4.20 -0.00 0.00 0.56 0.00 0.00 36.38 32.73 1yua s VAL 36 CO -0.05 0.39 0.12 2.22 -0.31 0.00 0.00 175.10 177.47 1yua n PHE 37 N 2.46 -0.53 -3.71 2.82 -1.74 -0.95 -4.02 117.46 111.78 1yua n PHE 37 Ca -0.02 -0.73 -0.27 0.00 -0.56 0.00 0.00 57.45 55.87 1yua n PHE 37 Cb 0.49 0.13 -0.17 0.00 1.52 0.00 0.00 39.48 41.46 1yua n PHE 37 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1yua s LEU 38 N 0.00 1.01 0.39 5.98 1.02 -0.97 -0.13 118.68 125.98 1yua s LEU 38 Ca 0.10 -0.76 -0.02 0.00 0.02 0.00 0.00 54.13 53.47 1yua s LEU 38 Cb 0.00 -0.53 -0.04 0.00 0.02 0.00 0.00 46.19 45.65 1yua s LEU 38 CO 0.07 -0.31 0.63 0.00 0.02 0.00 0.00 176.35 176.76 1yua s ALA 39 N 1.91 3.59 0.29 4.21 0.00 -1.24 -4.02 121.76 126.51 1yua s ALA 39 Ca -0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 51.96 51.01 1yua s ALA 39 Cb -0.17 -2.29 -0.09 0.00 0.00 0.00 0.00 23.12 20.57 1yua s ALA 39 CO -0.08 -0.11 0.82 0.00 0.00 0.00 0.00 175.76 176.39 1yua s ALA 40 N -2.44 3.29 -1.35 0.00 0.00 -1.21 -1.72 121.76 118.33 1yua s ALA 40 Ca 0.43 0.28 0.14 0.00 0.00 0.00 0.00 51.96 52.80 1yua s ALA 40 Cb -0.10 -2.96 0.69 0.00 0.00 0.00 0.00 23.12 20.75 1yua s ALA 40 CO 0.38 0.26 1.39 -1.71 0.00 0.00 0.00 175.76 176.08 1yua n ASN 41 N 0.31 0.00 0.03 0.00 2.85 -0.35 -1.69 115.26 116.41 1yua n ASN 41 Ca 0.01 0.16 0.12 0.00 -0.11 0.00 0.00 54.58 54.76 1yua n ASN 41 Cb 0.51 -0.32 0.20 0.00 1.24 0.00 0.00 39.78 41.41 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 -1.32 0.16 -1.14 -0.44 -2.24 -1.26 -4.86 114.28 103.18 1yua n THR 42 Ca 0.06 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 1yua n THR 42 Cb 0.12 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 1yua n THR 42 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1yua n PHE 43 N -1.80 -0.54 0.96 4.78 -0.00 -0.68 -0.50 117.46 119.69 1yua n PHE 43 Ca 0.04 0.76 0.12 0.00 -0.00 0.00 0.00 57.45 58.38 1yua n PHE 43 Cb 0.39 -1.59 0.57 0.00 -0.00 0.00 0.00 39.48 38.85 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 0.85 0.09 -0.33 -7.13 -0.04 -1.26 -4.78 135.00 122.40 1yua n PRO 44 Ca 0.14 0.06 0.35 0.00 -0.04 0.00 0.00 63.50 64.01 1yua n PRO 44 Cb 0.22 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 32.81 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 -3.71 0.54 3.64 -1.18 -3.26 116.57 112.59 1yua h LYS 45 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1yua h LYS 45 Cb 0.39 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.81 1yua h LYS 45 CO 0.00 0.00 -0.77 0.45 -2.27 0.00 0.00 179.45 176.86 1yua s SER 46 N -4.09 3.05 -0.05 4.20 0.15 -1.25 -4.97 113.70 110.75 1yua s SER 46 Ca -0.04 -0.87 0.09 0.00 0.70 0.00 0.00 55.95 55.83 1yua s SER 46 Cb 0.19 -0.71 0.35 0.00 -1.71 0.00 0.00 66.02 64.14 1yua s SER 46 CO 0.65 -0.29 1.19 0.54 1.20 0.00 0.00 173.24 176.53 1yua n ARG 47 N 4.98 2.28 -1.59 5.44 1.74 -1.23 -3.96 116.66 124.31 1yua n ARG 47 Ca -0.10 -1.37 -0.26 0.00 -0.77 0.00 0.00 57.85 55.36 1yua n ARG 47 Cb 0.47 -1.54 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.67 1.90 -0.06 5.56 2.02 -1.26 -4.87 118.70 120.33 1yua s GLU 48 Ca 0.25 0.93 -0.02 0.00 0.02 0.00 0.00 54.97 56.15 1yua s GLU 48 Cb 0.16 -4.68 0.04 0.00 0.10 0.00 0.00 34.13 29.74 1yua s GLU 48 CO 0.12 -3.79 0.11 -0.08 0.02 0.00 0.00 175.26 171.64 1yua s THR 49 N 13.21 -0.12 -0.02 3.63 -1.32 -1.26 -3.36 115.64 126.41 1yua s THR 49 Ca 0.94 0.28 -0.29 0.00 -1.21 0.00 0.00 61.69 61.41 1yua s THR 49 Cb -0.15 -0.20 0.11 0.00 -1.51 0.00 0.00 72.50 70.75 1yua s THR 49 CO 0.17 0.12 1.29 0.00 -2.21 0.00 0.00 174.62 173.99 1yua s ARG 50 N 1.64 0.38 0.65 7.08 1.04 -1.26 -4.89 118.95 123.59 1yua s ARG 50 Ca -0.03 -0.23 -0.18 0.00 -1.04 0.00 0.00 55.73 54.24 1yua s ARG 50 Cb -0.12 0.11 -0.01 0.00 -2.04 0.00 0.00 34.95 32.89 1yua s ARG 50 CO -0.05 -0.18 1.27 0.00 -0.04 0.00 0.00 175.30 176.31 1yua s ALA 51 N -2.15 2.38 0.00 7.88 0.00 -1.26 -2.29 121.76 126.33 1yua s ALA 51 Ca 0.24 1.15 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 1yua s ALA 51 Cb 0.02 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1yua s ALA 51 CO -0.02 -1.55 0.91 -1.25 0.00 0.00 0.00 175.76 173.85 1yua s PRO 52 N -3.42 4.55 0.52 0.00 0.04 -1.26 -4.59 135.00 130.84 1yua s PRO 52 Ca 0.81 1.29 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 1yua s PRO 52 Cb -0.35 -3.44 -0.07 0.00 0.04 0.00 0.00 34.50 30.68 1yua s PRO 52 CO 0.39 0.02 1.17 1.28 0.04 0.00 0.00 177.00 179.90 1yua n LEU 53 N 3.68 4.22 0.28 -3.56 4.77 -1.26 -2.03 117.00 123.11 1yua n LEU 53 Ca 0.04 0.96 0.16 0.00 -0.03 0.00 0.00 56.01 57.13 1yua n LEU 53 Cb 0.51 -1.47 0.90 0.00 -2.33 0.00 0.00 43.42 41.03 1yua n LEU 53 CO 0.51 -1.13 1.13 0.58 -1.33 0.00 0.00 177.39 177.15 1yua h VAL 54 N 1.28 0.51 0.00 4.08 2.07 -1.73 -0.50 116.25 121.96 1yua h VAL 54 Ca -0.48 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 66.80 1yua h VAL 54 Cb 1.33 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1yua h VAL 54 CO 0.56 0.00 -0.98 1.05 0.02 0.00 0.00 177.57 178.22 1yua h GLU 55 N 0.00 0.49 0.00 1.57 4.11 -1.85 -2.46 114.58 116.45 1yua h GLU 55 Ca 0.02 -0.53 -0.07 0.00 0.07 0.00 0.00 59.36 58.84 1yua h GLU 55 Cb 0.11 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1yua h GLU 55 CO -0.00 1.17 -0.33 0.93 0.07 0.00 0.00 179.01 180.85 1yua h GLU 56 N 0.28 0.00 -0.08 1.06 5.08 -1.46 -1.89 114.58 117.56 1yua h GLU 56 Ca -0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.02 1yua h GLU 56 Cb 1.62 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.89 1yua h GLU 56 CO 0.18 0.33 -0.91 1.25 -1.00 0.00 0.00 179.01 178.85 1yua h LEU 57 N 0.00 0.93 -0.26 1.33 7.12 -1.20 -2.01 115.31 121.21 1yua h LEU 57 Ca -0.00 -0.67 -0.10 0.00 0.13 0.00 0.00 57.88 57.23 1yua h LEU 57 Cb 0.78 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1yua h LEU 57 CO 0.04 1.48 -0.22 0.22 -0.13 0.00 0.00 178.44 179.82 1yua h TYR 58 N 0.47 0.73 0.00 1.25 3.20 -1.24 -1.76 116.97 119.61 1yua h TYR 58 Ca -0.09 -0.21 -0.05 0.00 3.14 0.00 0.00 58.73 61.51 1yua h TYR 58 Cb 1.56 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1yua h TYR 58 CO 0.09 0.91 -0.26 -0.09 -1.64 0.00 0.00 178.16 177.18 1yua h ARG 59 N 0.34 0.00 -0.72 1.82 2.43 -1.40 -2.31 114.38 114.53 1yua h ARG 59 Ca 0.05 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.87 1yua h ARG 59 Cb 0.78 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.12 1yua h ARG 59 CO 0.06 0.26 0.34 1.19 -1.51 0.00 0.00 179.97 180.30 1yua n PHE 60 N -3.91 2.27 0.05 2.20 3.01 -0.76 -4.54 117.46 115.79 1yua n PHE 60 Ca -0.02 -1.63 -0.01 0.00 1.01 0.00 0.00 57.45 56.81 1yua n PHE 60 Cb 0.34 -0.74 0.29 0.00 -0.01 0.00 0.00 39.48 39.36 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 0.39 0.00 -1.08 2.47 -0.73 0.44 114.38 117.19 1yua h ARG 61 Ca 0.42 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 1yua h ARG 61 Cb 2.35 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 30.63 1yua h ARG 61 CO 0.79 0.55 0.00 -0.40 0.56 0.00 0.00 179.97 181.47 1yua n ASP 62 N -4.20 0.10 -0.00 7.04 5.68 -1.26 -1.70 116.55 122.21 1yua n ASP 62 Ca -0.00 0.54 0.01 0.00 -0.50 0.00 0.00 54.79 54.83 1yua n ASP 62 Cb 0.33 -0.55 -0.01 0.00 -1.14 0.00 0.00 41.12 39.75 1yua n ASP 62 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1yua n ARG 63 N -1.62 3.86 -1.45 0.11 1.74 -0.55 -4.99 116.66 113.76 1yua n ARG 63 Ca 0.01 -0.01 -0.45 0.00 -0.77 0.00 0.00 57.85 56.63 1yua n ARG 63 Cb 0.07 -0.76 -0.12 0.00 -1.02 0.00 0.00 32.46 30.63 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 -1.24 0.81 0.00 0.55 0.00 0.04 -4.81 117.00 112.34 1yua n LEU 64 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 56.01 56.23 1yua n LEU 64 Cb 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 43.42 42.42 1yua n LEU 64 CO 0.03 -0.84 0.41 -2.65 0.00 0.00 0.00 177.39 174.34 1yua n PRO 65 N 8.33 0.00 0.00 1.96 -0.02 -1.26 -4.92 135.00 139.09 1yua n PRO 65 Ca 0.58 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1yua n PRO 65 Cb 0.10 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1yua n PRO 65 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1yua n GLU 66 N -1.80 0.00 0.00 -0.52 4.07 -1.26 -4.95 120.64 116.18 1yua n GLU 66 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1yua n GLU 66 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1yua n GLU 66 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1yua n LYS 67 N 0.00 0.64 0.00 5.31 5.02 -1.26 -2.60 118.16 125.27 1yua n LYS 67 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1yua n LYS 67 Cb 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1yua n LEU 68 N -0.49 0.00 0.27 -0.35 4.32 -1.26 -4.90 117.00 114.58 1yua n LEU 68 Ca 0.00 -0.01 -0.17 0.00 -0.02 0.00 0.00 56.01 55.80 1yua n LEU 68 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 1yua n LEU 68 CO 0.00 0.01 0.56 -0.09 -1.22 0.00 0.00 177.39 176.65 1yua h ARG 69 N 0.00 -0.89 -0.83 3.23 9.65 -1.87 -0.29 114.38 123.38 1yua h ARG 69 Ca 0.00 0.06 0.23 0.00 -1.10 0.00 0.00 59.98 59.17 1yua h ARG 69 Cb 0.98 0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 29.73 1yua h ARG 69 CO 0.00 -0.59 0.59 0.10 2.80 0.00 0.00 179.97 182.87 1yua h TYR 70 N -0.92 0.06 -0.26 2.20 -0.00 -1.91 0.29 116.97 116.43 1yua h TYR 70 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.52 1yua h TYR 70 Cb 0.81 -0.02 -0.00 0.00 0.00 0.00 0.00 36.73 37.52 1yua h TYR 70 CO -0.24 0.02 -0.50 -0.07 -0.00 0.00 0.00 178.16 177.36 1yua h LEU 71 N 0.05 0.80 -0.40 0.10 3.38 -1.47 -2.52 115.31 115.24 1yua h LEU 71 Ca 0.40 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1yua h LEU 71 Cb 1.52 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1yua h LEU 71 CO -0.02 1.16 0.00 0.00 0.09 0.00 0.00 178.44 179.66 1yua n ALA 72 N -2.54 1.91 0.70 1.53 0.00 0.92 -2.26 120.51 120.77 1yua n ALA 72 Ca -0.03 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1yua n ALA 72 Cb 0.59 -1.42 0.19 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.21 0.62 -4.69 0.00 8.00 -0.65 -4.64 116.55 112.98 1yua n ASP 73 Ca 0.04 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.25 1yua n ASP 73 Cb 0.31 0.23 0.17 0.00 -0.02 0.00 0.00 41.12 41.80 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 -3.12 1.16 0.98 2.24 0.00 -0.96 -5.01 121.76 117.05 1yua s ALA 74 Ca 0.07 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 1yua s ALA 74 Cb 0.15 -3.08 0.18 0.00 0.00 0.00 0.00 23.12 20.37 1yua s ALA 74 CO 0.72 -2.72 1.08 -1.25 0.00 0.00 0.00 175.76 173.59 1yua s PRO 75 N -5.08 0.58 -0.02 0.00 0.04 -1.26 -4.98 135.00 124.28 1yua s PRO 75 Ca 0.65 0.74 0.14 0.00 0.04 0.00 0.00 61.00 62.57 1yua s PRO 75 Cb -0.17 -1.74 0.25 0.00 0.04 0.00 0.00 34.50 32.88 1yua s PRO 75 CO 0.56 -2.68 1.10 0.00 0.04 0.00 0.00 177.00 176.02 1yua n GLN 76 N -4.18 0.17 0.00 4.56 10.64 -1.26 -4.56 117.38 122.75 1yua n GLN 76 Ca 0.06 -1.71 0.00 0.00 -1.83 0.00 0.00 57.00 53.51 1yua n GLN 76 Cb 0.56 -0.39 0.00 0.00 -0.86 0.00 0.00 30.24 29.55 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 0.09 0.00 -0.59 2.61 10.64 -1.26 -2.52 117.38 126.35 1yua n GLN 77 Ca 0.05 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.30 1yua n GLN 77 Cb 0.91 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 30.26 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 -3.56 0.00 2.61 9.92 -1.26 -1.74 116.55 122.52 1yua n ASP 78 Ca 0.00 0.38 0.07 0.00 -0.53 0.00 0.00 54.79 54.71 1yua n ASP 78 Cb 0.00 -1.89 0.38 0.00 -0.64 0.00 0.00 41.12 38.97 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 -3.01 0.24 -0.02 -0.24 -0.04 -1.26 -2.49 135.00 128.18 1yua n PRO 79 Ca -0.01 0.13 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 1yua n PRO 79 Cb 0.28 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.25 0.72 0.00 0.54 4.07 -1.25 -5.01 120.64 118.46 1yua n GLU 80 Ca 0.07 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 1yua n GLU 80 Cb 0.11 -1.70 0.00 0.00 -0.06 0.00 0.00 31.44 29.79 1yua n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yua n GLY 81 N 1.93 2.93 3.51 8.31 0.00 -0.71 -5.03 105.19 116.13 1yua n GLY 81 Ca -0.31 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.59 -4.38 1.61 2.04 -1.06 -4.57 115.26 108.30 1yua n ASN 82 Ca 0.00 -0.47 -0.43 0.00 -0.44 0.00 0.00 54.58 53.24 1yua n ASN 82 Cb 0.00 -0.77 -0.01 0.00 -2.53 0.00 0.00 39.78 36.47 1yua n ASN 82 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1yua n LYS 83 N 6.67 0.21 -5.26 -3.83 4.01 -1.25 -4.01 118.16 114.70 1yua n LYS 83 Ca 0.64 0.08 -0.31 0.00 -0.51 0.00 0.00 58.31 58.21 1yua n LYS 83 Cb 0.16 -1.18 -0.16 0.00 -0.51 0.00 0.00 35.03 33.34 1yua n LYS 83 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1yua s THR 84 N -1.44 2.01 0.53 -0.18 -1.32 -1.05 -0.45 115.64 113.74 1yua s THR 84 Ca 0.61 -1.06 0.06 0.00 -1.21 0.00 0.00 61.69 60.09 1yua s THR 84 Cb -0.70 -1.69 0.03 0.00 -1.51 0.00 0.00 72.50 68.64 1yua s THR 84 CO 0.60 0.56 0.41 0.00 -2.21 0.00 0.00 174.62 173.98 1yua s MET 85 N -0.36 2.27 0.30 7.08 0.23 -0.78 -2.49 119.30 125.55 1yua s MET 85 Ca 0.03 -1.97 -0.22 0.00 -1.03 0.00 0.00 55.69 52.49 1yua s MET 85 Cb -0.12 -2.13 -0.09 0.00 -1.53 0.00 0.00 34.83 30.96 1yua s MET 85 CO 0.01 -0.59 0.85 0.08 -2.03 0.00 0.00 175.02 173.35 1yua s VAL 86 N -2.74 4.40 0.13 5.16 1.01 -0.86 -1.60 120.40 125.90 1yua s VAL 86 Ca 0.36 1.52 0.02 0.00 0.00 0.00 0.00 61.98 63.88 1yua s VAL 86 Cb -0.02 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1yua s VAL 86 CO 0.22 0.09 0.08 0.54 0.00 0.00 0.00 175.10 176.03 1yua n ARG 87 N 0.41 0.43 -3.76 2.72 5.12 0.21 -4.37 116.66 117.41 1yua n ARG 87 Ca 0.01 -1.24 -0.14 0.00 -1.93 0.00 0.00 57.85 54.56 1yua n ARG 87 Cb 0.51 0.86 -0.14 0.00 -1.16 0.00 0.00 32.46 32.53 1yua n ARG 87 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1yua s PHE 88 N -2.32 -0.13 -0.13 -1.55 5.36 -1.26 -2.11 117.98 115.83 1yua s PHE 88 Ca 0.12 0.41 -0.03 0.00 -0.96 0.00 0.00 56.93 56.46 1yua s PHE 88 Cb 0.01 -0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.56 1yua s PHE 88 CO 0.08 -0.14 -0.02 -1.12 -1.46 0.00 0.00 175.22 172.56 1yua s SER 89 N 1.03 4.99 0.16 6.13 0.01 -0.84 -4.88 113.70 120.30 1yua s SER 89 Ca -0.08 -0.03 0.23 0.00 1.31 0.00 0.00 55.95 57.39 1yua s SER 89 Cb -0.11 -1.67 0.19 0.00 0.21 0.00 0.00 66.02 64.64 1yua s SER 89 CO -0.05 0.24 1.20 -0.09 0.41 0.00 0.00 173.24 174.95 1yua h ARG 90 N 6.18 0.00 0.00 12.44 2.43 -1.96 0.11 114.38 133.58 1yua h ARG 90 Ca -0.38 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.77 1yua h ARG 90 Cb 1.19 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1yua h ARG 90 CO 0.61 0.00 -0.08 0.87 -1.51 0.00 0.00 179.97 179.85 1yua h LYS 91 N 0.00 0.00 0.00 0.20 6.56 -1.98 -3.16 116.57 118.19 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 0.85 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 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 -3.70 0.07 -3.71 -0.16 -2.24 -1.24 -5.03 114.28 98.26 1yua n THR 92 Ca -0.02 -0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.36 1yua n THR 92 Cb 0.19 1.47 0.03 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.03 -2.15 -2.23 -0.78 4.01 0.33 -4.97 118.16 112.33 1yua n LYS 93 Ca 0.00 0.49 -0.02 0.00 -0.51 0.00 0.00 58.31 58.27 1yua n LYS 93 Cb 0.31 -4.42 -0.01 0.00 -0.51 0.00 0.00 35.03 30.40 1yua n LYS 93 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1yua n GLN 94 N -4.19 0.29 -4.22 1.97 6.02 -0.93 -4.96 117.38 111.34 1yua n GLN 94 Ca -0.16 -0.34 -0.34 0.00 -0.01 0.00 0.00 57.00 56.14 1yua n GLN 94 Cb 0.62 0.25 -0.13 0.00 1.02 0.00 0.00 30.24 32.00 1yua n GLN 94 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1yua s GLN 95 N -2.14 3.50 -0.05 -1.09 2.00 -1.26 -1.99 119.66 118.62 1yua s GLN 95 Ca 0.04 -0.59 0.05 0.00 -2.00 0.00 0.00 55.36 52.85 1yua s GLN 95 Cb 0.00 -2.93 -0.00 0.00 0.80 0.00 0.00 33.01 30.88 1yua s GLN 95 CO 0.02 0.03 -0.19 1.52 -0.50 0.00 0.00 175.29 176.17 1yua s TYR 96 N 0.91 1.87 0.56 1.67 -0.85 -0.90 -2.20 117.35 118.40 1yua s TYR 96 Ca -0.01 -0.55 -0.03 0.00 -0.52 0.00 0.00 57.07 55.97 1yua s TYR 96 Cb -0.15 -1.25 0.02 0.00 0.38 0.00 0.00 41.96 40.96 1yua s TYR 96 CO 0.01 -0.18 0.83 0.14 -1.52 0.00 0.00 175.55 174.82 1yua s VAL 97 N 0.02 3.32 -0.19 -3.49 -7.23 0.13 0.64 120.40 113.59 1yua s VAL 97 Ca -0.04 -0.32 -0.06 0.00 -1.81 0.00 0.00 61.98 59.75 1yua s VAL 97 Cb -0.12 -3.29 0.09 0.00 0.56 0.00 0.00 36.38 33.62 1yua s VAL 97 CO 0.03 -0.26 0.38 -0.44 -0.31 0.00 0.00 175.10 174.50 1yua s SER 98 N -4.34 -0.08 -1.00 4.85 0.01 -0.62 0.24 113.70 112.76 1yua s SER 98 Ca 0.54 0.83 -0.24 0.00 1.31 0.00 0.00 55.95 58.40 1yua s SER 98 Cb -0.10 1.20 -0.05 0.00 0.21 0.00 0.00 66.02 67.27 1yua s SER 98 CO 0.42 -0.24 1.91 -0.44 0.41 0.00 0.00 173.24 175.30 1yua s SER 99 N 2.57 5.23 0.08 2.44 0.01 -0.36 -1.86 113.70 121.81 1yua s SER 99 Ca 0.00 -1.06 -0.18 0.00 1.31 0.00 0.00 55.95 56.02 1yua s SER 99 Cb -0.12 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 1yua s SER 99 CO -0.12 -2.74 0.56 -1.61 0.41 0.00 0.00 173.24 169.74 1yua s GLU 100 N 6.66 4.14 -0.72 12.44 8.01 0.40 -4.36 118.70 145.28 1yua s GLU 100 Ca 0.68 0.68 -0.16 0.00 0.01 0.00 0.00 54.97 56.18 1yua s GLU 100 Cb -0.04 -3.18 0.17 0.00 -4.31 0.00 0.00 34.13 26.77 1yua s GLU 100 CO 0.03 0.61 0.71 0.15 0.01 0.00 0.00 175.26 176.78 1yua s LYS 101 N -1.27 3.35 0.00 1.61 1.02 -1.26 -3.88 119.74 119.32 1yua s LYS 101 Ca 0.30 -2.03 0.00 0.00 0.02 0.00 0.00 55.97 54.26 1yua s LYS 101 Cb -0.18 -4.41 0.00 0.00 -0.52 0.00 0.00 37.83 32.71 1yua s LYS 101 CO 0.19 -1.38 0.00 -3.47 -0.92 0.00 0.00 175.35 169.77 1yua n ASP 102 N 4.88 -1.69 0.00 2.83 2.03 -1.26 -2.15 116.55 121.20 1yua n ASP 102 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1yua n ASP 102 Cb 0.44 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1yua n ASP 102 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yua n GLY 103 N -1.82 0.83 1.32 0.27 0.00 -1.26 -4.95 105.19 99.58 1yua n GLY 103 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.85 3.30 -0.86 1.61 2.85 -0.91 -5.03 118.16 117.27 1yua n LYS 104 Ca 0.00 -1.89 0.11 0.00 -1.05 0.00 0.00 58.31 55.48 1yua n LYS 104 Cb 0.00 -1.94 -0.03 0.00 -0.65 0.00 0.00 35.03 32.41 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 0.40 -2.99 0.00 0.58 0.00 -1.26 -4.77 120.51 112.46 1yua n ALA 105 Ca 0.17 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1yua n ALA 105 Cb 0.80 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.74 0.00 0.00 0.00 -2.24 -1.26 -4.01 114.28 104.03 1yua n THR 106 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1yua n THR 106 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.27 0.94 3.66 3.38 0.00 -1.26 -5.01 105.19 105.63 1yua n GLY 107 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.30 3.23 -0.27 1.61 -0.00 -1.26 -3.64 118.94 118.31 1yua s TRP 108 Ca 0.00 1.36 -0.01 0.00 -0.00 0.00 0.00 56.10 57.45 1yua s TRP 108 Cb 0.00 -3.32 0.13 0.00 -0.00 0.00 0.00 33.47 30.27 1yua s TRP 108 CO 0.00 -0.78 0.30 -1.54 -0.00 0.00 0.00 176.95 174.93 1yua s SER 109 N 1.38 1.34 0.38 5.86 1.04 -1.26 -1.22 113.70 121.22 1yua s SER 109 Ca 0.47 -0.49 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 1yua s SER 109 Cb -0.17 0.60 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 1yua s SER 109 CO 0.09 -0.36 0.68 0.00 0.98 0.00 0.00 173.24 174.63 1yua s ALA 110 N 2.39 3.49 0.01 5.32 0.00 0.14 -2.89 121.76 130.21 1yua s ALA 110 Ca 0.09 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 51.67 1yua s ALA 110 Cb -0.14 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1yua s ALA 110 CO -0.26 -0.00 -0.22 -0.06 0.00 0.00 0.00 175.76 175.22 1yua s PHE 111 N -2.35 1.93 -0.53 0.00 0.40 -0.80 0.17 117.98 116.79 1yua s PHE 111 Ca 0.47 -0.37 -0.22 0.00 -0.60 0.00 0.00 56.93 56.20 1yua s PHE 111 Cb -0.10 -1.21 0.04 0.00 0.51 0.00 0.00 43.02 42.26 1yua s PHE 111 CO 0.34 0.02 0.83 -0.47 0.70 0.00 0.00 175.22 176.64 1yua s TYR 112 N -0.61 2.89 0.00 0.36 5.04 -0.94 0.42 117.35 124.51 1yua s TYR 112 Ca 0.08 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 1yua s TYR 112 Cb -0.09 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.35 1yua s TYR 112 CO 0.00 -1.22 0.00 0.28 -1.34 0.00 0.00 175.55 173.27 1yua n VAL 113 N 6.01 0.00 -2.05 3.14 0.31 -0.45 -4.76 118.33 120.53 1yua n VAL 113 Ca -0.01 0.00 -0.27 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 5.07 -1.04 4.52 1.01 -1.26 -2.87 116.67 121.11 1yua s ASP 114 Ca 0.00 -1.06 0.00 0.00 0.71 0.00 0.00 52.55 52.20 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 -2.90 0.00 0.61 0.21 0.00 0.00 175.17 173.09 1yua n GLY 115 N 6.44 0.09 2.69 0.21 0.00 -1.26 -4.83 105.19 108.52 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 -2.38 1.55 -0.76 1.61 4.01 -1.14 -5.10 118.16 115.94 1yua n LYS 116 Ca -0.12 -4.18 -0.33 0.00 -0.51 0.00 0.00 58.31 53.16 1yua n LYS 116 Cb 0.51 -2.10 0.14 0.00 -0.51 0.00 0.00 35.03 33.07 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 1.93 -1.66 -4.04 2.13 7.02 -1.25 -1.34 117.44 120.23 1yua n TRP 117 Ca 0.24 0.21 -0.11 0.00 -1.02 0.00 0.00 57.50 56.81 1yua n TRP 117 Cb 0.40 -1.60 -0.05 0.00 -2.42 0.00 0.00 31.31 27.64 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 -2.25 0.00 -0.26 -0.99 -7.23 0.17 -4.69 120.40 105.15 1yua s VAL 118 Ca 0.53 -1.50 -0.04 0.00 -1.81 0.00 0.00 61.98 59.17 1yua s VAL 118 Cb -0.13 -2.43 0.09 0.00 0.56 0.00 0.00 36.38 34.48 1yua s VAL 118 CO 0.68 0.00 0.11 -1.61 -0.31 0.00 0.00 175.10 173.96 1yua s GLU 119 N -3.58 0.29 -0.63 4.82 8.01 -1.26 -1.91 118.70 124.44 1yua s GLU 119 Ca 0.26 -0.52 -0.16 0.00 0.01 0.00 0.00 54.97 54.57 1yua s GLU 119 Cb -0.00 -1.50 0.15 0.00 -4.31 0.00 0.00 34.13 28.47 1yua s GLU 119 CO 0.13 -0.91 0.59 0.20 0.01 0.00 0.00 175.26 175.28 1yua s GLY 120 N 2.01 2.24 0.40 -1.39 0.00 -1.14 -5.01 107.32 104.43 1yua s GLY 120 Ca 0.07 -2.76 -0.27 0.00 0.00 0.00 0.00 44.72 41.77 1yua s GLY 120 CO -0.27 1.24 1.36 -1.59 0.00 0.00 0.00 173.10 173.84 1yua s LYS 121 N 1.24 4.00 0.00 2.90 -2.85 -1.26 -4.36 119.74 119.41 1yua s LYS 121 Ca 0.08 2.29 0.03 0.00 -1.00 0.00 0.00 55.97 57.37 1yua s LYS 121 Cb -0.24 -2.83 0.02 0.00 -2.06 0.00 0.00 37.83 32.72 1yua s LYS 121 CO -0.00 -0.51 0.58 1.17 0.10 0.00 0.00 175.35 176.69