#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 0.00 -4.77 7.83 5.15 -1.26 -5.12 115.26 117.09 1yua n ASN 2 Ca 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.60 1yua n ASN 2 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1yua n ASN 2 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1yua s GLY 3 N -1.04 2.52 -1.25 8.20 0.00 -1.26 -4.99 107.32 109.49 1yua s GLY 3 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 44.72 44.49 1yua s GLY 3 CO 0.00 0.61 1.63 -2.21 0.00 0.00 0.00 173.10 173.13 1yua n GLU 4 N 2.78 3.39 -3.37 2.90 4.07 -1.26 -4.80 120.64 124.35 1yua n GLU 4 Ca -0.09 -3.63 -0.26 0.00 -0.06 0.00 0.00 57.16 53.12 1yua n GLU 4 Cb 0.51 -3.08 -0.08 0.00 -0.06 0.00 0.00 31.44 28.73 1yua n GLU 4 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1yua n VAL 5 N 4.52 0.75 -1.77 6.31 0.24 -1.26 -4.93 118.33 122.18 1yua n VAL 5 Ca 0.40 -4.54 -0.02 0.00 -2.04 0.00 0.00 64.34 58.14 1yua n VAL 5 Cb 0.41 -2.01 0.00 0.00 -1.47 0.00 0.00 33.84 30.77 1yua n VAL 5 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yua n ALA 6 N 1.34 -2.98 -1.28 2.33 0.00 -1.26 -5.04 120.51 113.62 1yua n ALA 6 Ca 0.25 0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 1yua n ALA 6 Cb 0.46 -0.76 0.19 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.35 -0.04 0.15 0.00 0.04 -1.26 -4.94 135.00 127.59 1yua s PRO 7 Ca 0.05 0.16 -0.25 0.00 0.04 0.00 0.00 61.00 61.00 1yua s PRO 7 Cb -0.01 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1yua s PRO 7 CO 0.15 -2.97 1.61 -1.35 0.04 0.00 0.00 177.00 174.48 1yua h PRO 8 N -2.05 -0.33 -6.60 0.56 0.11 -2.00 -3.40 132.00 118.28 1yua h PRO 8 Ca -0.50 0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.09 1yua h PRO 8 Cb 1.31 0.08 0.06 0.00 0.11 0.00 0.00 31.00 32.56 1yua h PRO 8 CO 0.49 -0.22 0.91 1.63 -0.21 0.00 0.00 178.00 180.60 1yua n LYS 9 N -5.41 2.51 -3.59 1.05 4.76 -1.26 -4.97 118.16 111.25 1yua n LYS 9 Ca -0.02 0.91 -0.13 0.00 -2.87 0.00 0.00 58.31 56.20 1yua n LYS 9 Cb 0.33 -2.72 -0.06 0.00 -1.84 0.00 0.00 35.03 30.74 1yua n LYS 9 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1yua s GLU 10 N 0.98 0.77 -0.45 1.97 0.41 -1.26 -5.05 118.70 116.07 1yua s GLU 10 Ca 0.76 0.55 0.09 0.00 -0.41 0.00 0.00 54.97 55.96 1yua s GLU 10 Cb -0.58 0.37 0.33 0.00 -1.78 0.00 0.00 34.13 32.47 1yua s GLU 10 CO 0.35 -0.17 0.76 -0.40 -0.49 0.00 0.00 175.26 175.32 1yua n ASP 11 N 1.75 1.93 -2.86 -0.19 5.75 -1.26 -5.08 116.55 116.59 1yua n ASP 11 Ca -0.14 -3.18 0.00 0.00 -0.01 0.00 0.00 54.79 51.46 1yua n ASP 11 Cb 0.56 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 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 0.32 1.66 -3.48 0.11 -0.04 -1.26 -4.99 135.00 127.32 1yua n PRO 12 Ca 0.26 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.30 1yua n PRO 12 Cb 0.55 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.96 1yua n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1yua s VAL 13 N 0.10 4.80 0.19 0.52 1.01 -0.93 -4.98 120.40 121.12 1yua s VAL 13 Ca 0.00 -2.50 -0.30 0.00 0.00 0.00 0.00 61.98 59.18 1yua s VAL 13 Cb 0.00 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1yua s VAL 13 CO 0.00 -0.94 1.36 -2.16 0.00 0.00 0.00 175.10 173.36 1yua s PRO 14 N 0.31 4.34 -0.51 2.72 0.04 -1.26 -0.01 135.00 140.63 1yua s PRO 14 Ca 0.15 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.36 1yua s PRO 14 Cb -0.17 -3.18 0.39 0.00 0.04 0.00 0.00 34.50 31.59 1yua s PRO 14 CO -0.05 -0.33 1.15 1.28 0.04 0.00 0.00 177.00 179.09 1yua n LEU 15 N 2.83 4.92 -0.32 -3.56 4.77 -0.62 -4.84 117.00 120.18 1yua n LEU 15 Ca 0.07 -5.30 0.29 0.00 -0.03 0.00 0.00 56.01 51.04 1yua n LEU 15 Cb 0.42 -0.54 0.45 0.00 -2.33 0.00 0.00 43.42 41.42 1yua n LEU 15 CO 0.59 2.23 1.01 -2.65 -1.33 0.00 0.00 177.39 177.24 1yua n PRO 16 N -0.42 0.01 -0.09 3.23 -0.02 -1.26 0.13 135.00 136.58 1yua n PRO 16 Ca 0.38 0.78 -0.01 0.00 -2.02 0.00 0.00 63.50 62.63 1yua n PRO 16 Cb 0.56 -1.87 0.02 0.00 -0.02 0.00 0.00 33.50 32.18 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 -3.03 1.12 -3.20 -0.52 4.07 -1.26 -4.25 120.64 113.57 1yua n GLU 17 Ca 0.24 -0.23 -0.20 0.00 -0.06 0.00 0.00 57.16 56.91 1yua n GLU 17 Cb 1.30 -1.15 -0.07 0.00 -0.06 0.00 0.00 31.44 31.46 1yua n GLU 17 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1yua n LEU 18 N 0.33 -1.39 -4.57 4.31 4.77 0.36 -5.00 117.00 115.80 1yua n LEU 18 Ca 0.04 -3.93 -0.51 0.00 -0.03 0.00 0.00 56.01 51.58 1yua n LEU 18 Cb 0.55 0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 42.21 1yua n LEU 18 CO 0.04 1.89 0.74 -2.65 -1.33 0.00 0.00 177.39 176.08 1yua n PRO 19 N 2.84 1.02 0.00 3.23 -0.02 -1.26 -0.42 135.00 140.39 1yua n PRO 19 Ca 0.26 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1yua n PRO 19 Cb 0.51 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1yua n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yua h GLU 21 N 0.00 -0.13 0.00 0.00 5.08 -1.89 -3.45 114.58 114.19 1yua h GLU 21 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1yua h GLU 21 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1yua h GLU 21 CO 0.00 -0.09 0.00 1.17 -1.00 0.00 0.00 179.01 179.09 1yua n LYS 22 N -2.91 0.00 -0.31 2.33 3.00 -1.26 -5.00 118.16 114.02 1yua n LYS 22 Ca -0.02 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.38 1yua n LYS 22 Cb 0.07 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.31 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 0.00 3.13 -0.02 3.14 2.88 -1.26 -4.91 113.62 116.59 1yua n SER 23 Ca 0.00 -3.10 -0.00 0.00 -1.33 0.00 0.00 58.87 54.44 1yua n SER 23 Cb 0.00 -0.50 -0.00 0.00 -0.75 0.00 0.00 64.21 62.96 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 -0.95 -3.05 -3.08 -3.46 8.00 -1.26 -5.03 116.55 107.72 1yua n ASP 24 Ca 0.20 0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.61 1yua n ASP 24 Cb 0.79 -0.57 0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yua n ALA 25 N 1.00 0.17 -3.00 2.24 0.00 -1.26 -4.95 120.51 114.72 1yua n ALA 25 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1yua n ALA 25 Cb 0.01 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1yua n ALA 25 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1yua n TYR 26 N -1.88 -0.20 -3.50 0.00 0.18 -1.26 -1.62 117.16 108.88 1yua n TYR 26 Ca 0.07 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.43 1yua n TYR 26 Cb 0.24 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.16 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 -3.32 3.86 -0.88 -3.48 0.40 0.44 -1.31 117.98 113.70 1yua s PHE 27 Ca 0.00 -2.62 -0.25 0.00 -0.60 0.00 0.00 56.93 53.47 1yua s PHE 27 Cb 0.00 -3.54 0.02 0.00 0.51 0.00 0.00 43.02 40.01 1yua s PHE 27 CO 0.00 -0.88 1.56 0.08 0.70 0.00 0.00 175.22 176.68 1yua s VAL 28 N -0.69 3.71 -0.70 -0.44 1.01 -0.54 -1.58 120.40 121.17 1yua s VAL 28 Ca 0.24 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1yua s VAL 28 Cb -0.11 -4.68 -0.14 0.00 0.00 0.00 0.00 36.38 31.45 1yua s VAL 28 CO -0.09 -1.60 2.53 -0.11 0.00 0.00 0.00 175.10 175.83 1yua n LEU 29 N 10.49 1.44 0.00 3.92 0.00 0.99 -3.58 117.00 130.26 1yua n LEU 29 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 56.01 56.06 1yua n LEU 29 Cb 0.50 -1.28 0.02 0.00 0.00 0.00 0.00 43.42 42.65 1yua n LEU 29 CO 0.67 -1.17 0.09 0.54 0.00 0.00 0.00 177.39 177.52 1yua n ARG 30 N 8.74 0.66 -3.75 1.96 1.74 0.03 -2.19 116.66 123.85 1yua n ARG 30 Ca 0.50 -0.51 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1yua n ARG 30 Cb 0.31 -0.09 -0.14 0.00 -1.02 0.00 0.00 32.46 31.52 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 -1.69 3.94 1.29 0.55 -4.77 -1.26 -1.91 116.67 112.82 1yua s ASP 31 Ca 0.11 -2.13 -0.20 0.00 -3.30 0.00 0.00 52.55 47.04 1yua s ASP 31 Cb -0.01 -1.02 0.30 0.00 -1.09 0.00 0.00 42.92 41.10 1yua s ASP 31 CO 0.07 -0.35 0.94 0.61 0.70 0.00 0.00 175.17 177.15 1yua n GLY 32 N 4.21 -3.08 0.31 2.12 0.00 -0.80 -4.88 105.19 103.08 1yua n GLY 32 Ca 0.03 -1.43 0.05 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.96 2.49 -0.05 4.61 0.00 -1.26 -3.36 120.51 117.99 1yua n ALA 33 Ca -0.19 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1yua n ALA 33 Cb 0.54 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.05 1.67 0.00 0.00 0.00 -1.26 -5.11 120.51 115.76 1yua n ALA 34 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1yua n ALA 34 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 0.59 3.24 3.67 0.00 0.00 -1.21 -4.94 105.19 106.53 1yua n GLY 35 Ca 0.00 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1yua n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yua s VAL 36 N -2.00 2.43 0.05 1.61 0.11 -1.26 -1.90 120.40 119.43 1yua s VAL 36 Ca 0.00 0.14 -0.28 0.00 -2.93 0.00 0.00 61.98 58.91 1yua s VAL 36 Cb 0.00 -2.52 0.10 0.00 -1.53 0.00 0.00 36.38 32.43 1yua s VAL 36 CO 0.00 -0.18 1.14 0.72 -3.33 0.00 0.00 175.10 173.45 1yua s PHE 37 N -2.84 -0.09 -0.59 1.54 -0.71 -0.80 -4.55 117.98 109.94 1yua s PHE 37 Ca 0.65 -0.10 -0.07 0.00 -1.04 0.00 0.00 56.93 56.37 1yua s PHE 37 Cb -0.20 0.58 0.15 0.00 -1.21 0.00 0.00 43.02 42.35 1yua s PHE 37 CO 0.58 -0.51 0.44 -0.51 -1.34 0.00 0.00 175.22 173.89 1yua s LEU 38 N -2.93 5.64 0.15 -1.99 1.43 -1.15 -0.79 118.68 119.04 1yua s LEU 38 Ca 0.13 -2.45 -0.04 0.00 -1.03 0.00 0.00 54.13 50.74 1yua s LEU 38 Cb 0.02 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1yua s LEU 38 CO -0.01 -0.52 0.36 0.00 0.23 0.00 0.00 176.35 176.41 1yua s ALA 39 N 0.54 3.82 0.31 4.21 0.00 -1.24 -3.76 121.76 125.64 1yua s ALA 39 Ca 0.13 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1yua s ALA 39 Cb -0.21 -2.08 -0.10 0.00 0.00 0.00 0.00 23.12 20.73 1yua s ALA 39 CO -0.04 0.65 1.32 0.00 0.00 0.00 0.00 175.76 177.69 1yua s ALA 40 N -1.68 3.52 -1.47 0.00 0.00 -1.24 -1.46 121.76 119.42 1yua s ALA 40 Ca 0.40 1.25 0.15 0.00 0.00 0.00 0.00 51.96 53.76 1yua s ALA 40 Cb -0.12 -3.49 0.75 0.00 0.00 0.00 0.00 23.12 20.26 1yua s ALA 40 CO 0.26 -0.64 1.40 -1.71 0.00 0.00 0.00 175.76 175.07 1yua n ASN 41 N 1.21 0.00 -0.92 0.00 2.85 -0.43 -1.69 115.26 116.28 1yua n ASN 41 Ca 0.02 0.04 0.09 0.00 -0.11 0.00 0.00 54.58 54.62 1yua n ASN 41 Cb 0.42 -0.27 0.19 0.00 1.24 0.00 0.00 39.78 41.36 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 -1.27 0.64 -1.25 -0.44 -2.24 -1.26 -4.94 114.28 103.53 1yua n THR 42 Ca 0.07 -0.82 -0.42 0.00 -2.27 0.00 0.00 64.05 60.61 1yua n THR 42 Cb 0.11 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.14 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 1.10 -0.98 1.65 4.78 -0.00 -0.68 -0.12 117.46 123.20 1yua n PHE 43 Ca 0.16 0.78 0.14 0.00 -0.00 0.00 0.00 57.45 58.53 1yua n PHE 43 Cb 0.50 -1.74 0.81 0.00 -0.00 0.00 0.00 39.48 39.05 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 0.74 -0.41 -7.13 -0.04 -1.26 -4.86 135.00 123.07 1yua n PRO 44 Ca 0.14 0.01 0.33 0.00 -0.04 0.00 0.00 63.50 63.94 1yua n PRO 44 Cb 0.28 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.77 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 -1.09 -0.02 -3.75 0.54 4.81 0.83 -3.61 118.16 115.88 1yua n LYS 45 Ca 0.19 0.85 -0.22 0.00 -0.87 0.00 0.00 58.31 58.26 1yua n LYS 45 Cb 0.14 -1.79 -0.18 0.00 0.02 0.00 0.00 35.03 33.22 1yua n LYS 45 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1yua s SER 46 N -4.18 1.53 -0.12 3.14 1.04 -1.26 -4.82 113.70 109.03 1yua s SER 46 Ca -0.05 -0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.37 1yua s SER 46 Cb 0.21 -0.38 0.38 0.00 0.10 0.00 0.00 66.02 66.34 1yua s SER 46 CO 0.61 -0.21 1.12 0.54 0.98 0.00 0.00 173.24 176.28 1yua n ARG 47 N 5.18 2.73 -2.42 4.02 1.74 -1.24 -4.13 116.66 122.54 1yua n ARG 47 Ca -0.06 -1.48 -0.39 0.00 -0.77 0.00 0.00 57.85 55.14 1yua n ARG 47 Cb 0.50 -1.84 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 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 0.24 2.79 -4.10 5.56 1.02 -1.26 -4.89 120.64 120.00 1yua n GLU 48 Ca 0.15 -3.06 -0.16 0.00 -0.02 0.00 0.00 57.16 54.07 1yua n GLU 48 Cb 0.73 -3.55 -0.15 0.00 -0.02 0.00 0.00 31.44 28.46 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 5.88 0.35 0.00 2.62 -4.23 -1.25 -3.71 115.64 115.31 1yua s THR 49 Ca 0.57 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1yua s THR 49 Cb 0.03 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.55 1yua s THR 49 CO 0.09 0.12 0.00 0.54 -0.54 0.00 0.00 174.62 174.83 1yua n ARG 50 N 3.24 0.00 -1.43 3.99 1.74 -1.25 -4.91 116.66 118.05 1yua n ARG 50 Ca -0.16 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.50 1yua n ARG 50 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 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 -0.83 -1.79 -2.03 7.54 0.00 -1.26 -2.92 120.51 119.22 1yua n ALA 51 Ca 0.00 0.16 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 1yua n ALA 51 Cb 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.47 4.50 0.46 0.00 0.04 -1.26 -4.57 135.00 132.70 1yua s PRO 52 Ca 0.63 1.08 -0.23 0.00 0.04 0.00 0.00 61.00 62.52 1yua s PRO 52 Cb -0.62 -3.23 -0.10 0.00 0.04 0.00 0.00 34.50 30.59 1yua s PRO 52 CO 0.59 0.57 0.87 -0.11 0.04 0.00 0.00 177.00 178.96 1yua n LEU 53 N 1.55 2.09 -0.28 -3.56 -0.00 -1.26 -2.11 117.00 113.43 1yua n LEU 53 Ca -0.06 0.95 -0.02 0.00 -0.00 0.00 0.00 56.01 56.88 1yua n LEU 53 Cb 0.49 -1.29 0.17 0.00 -0.00 0.00 0.00 43.42 42.78 1yua n LEU 53 CO 0.45 -1.95 1.21 0.58 -0.00 0.00 0.00 177.39 177.68 1yua h VAL 54 N 1.13 1.23 0.00 1.96 2.07 -1.56 -0.47 116.25 120.60 1yua h VAL 54 Ca -0.44 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 1yua h VAL 54 Cb 1.36 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1yua h VAL 54 CO 0.54 0.24 -0.49 1.05 0.02 0.00 0.00 177.57 178.93 1yua h GLU 55 N 1.15 0.00 -0.01 1.57 4.11 -1.85 -2.45 114.58 117.10 1yua h GLU 55 Ca 0.30 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.62 1yua h GLU 55 Cb -0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1yua h GLU 55 CO -0.06 0.49 -0.51 0.93 0.07 0.00 0.00 179.01 179.93 1yua h GLU 56 N 0.00 0.03 -0.22 1.06 5.08 -1.46 -1.76 114.58 117.31 1yua h GLU 56 Ca -0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1yua h GLU 56 Cb 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1yua h GLU 56 CO 0.06 0.53 -0.35 1.25 -1.00 0.00 0.00 179.01 179.51 1yua h LEU 57 N 0.02 0.68 -0.71 1.33 7.12 -0.77 -1.95 115.31 121.03 1yua h LEU 57 Ca -0.00 -0.53 -0.10 0.00 0.13 0.00 0.00 57.88 57.38 1yua h LEU 57 Cb 0.91 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.83 1yua h LEU 57 CO 0.07 1.07 -0.07 0.22 -0.13 0.00 0.00 178.44 179.60 1yua h TYR 58 N 0.30 1.02 0.10 1.25 3.20 -1.34 0.19 116.97 121.69 1yua h TYR 58 Ca 0.02 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 1yua h TYR 58 Cb 0.94 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1yua h TYR 58 CO 0.09 0.95 -0.05 -0.09 -1.64 0.00 0.00 178.16 177.41 1yua h ARG 59 N 0.84 -0.13 -0.69 1.82 2.43 -1.27 -2.40 114.38 114.98 1yua h ARG 59 Ca 0.14 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1yua h ARG 59 Cb 0.59 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1yua h ARG 59 CO 0.04 0.09 0.00 1.19 -1.51 0.00 0.00 179.97 179.78 1yua n PHE 60 N -5.06 0.70 -0.16 2.20 3.72 -0.74 -4.11 117.46 114.01 1yua n PHE 60 Ca -0.08 -0.26 -0.06 0.00 -0.05 0.00 0.00 57.45 57.00 1yua n PHE 60 Cb 0.16 -0.19 0.11 0.00 -0.94 0.00 0.00 39.48 38.62 1yua n PHE 60 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1yua h ARG 61 N 1.61 0.93 0.00 -1.08 2.43 -0.08 0.54 114.38 118.72 1yua h ARG 61 Ca 0.00 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1yua h ARG 61 Cb 0.89 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1yua h ARG 61 CO 0.14 0.89 0.00 -3.47 -1.51 0.00 0.00 179.97 176.03 1yua n ASP 62 N -4.21 0.00 0.00 -3.80 2.03 -1.26 -2.18 116.55 107.13 1yua n ASP 62 Ca 0.03 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1yua n ASP 62 Cb 0.30 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1yua n ASP 62 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1yua n ARG 63 N -1.33 2.04 -2.84 -0.67 0.63 -0.47 -5.05 116.66 108.97 1yua n ARG 63 Ca 0.06 -1.20 -0.19 0.00 -0.92 0.00 0.00 57.85 55.61 1yua n ARG 63 Cb 0.13 -0.89 0.02 0.00 0.45 0.00 0.00 32.46 32.18 1yua n ARG 63 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1yua s LEU 64 N -0.71 3.48 0.00 6.15 2.34 0.06 -4.97 118.68 125.03 1yua s LEU 64 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 54.13 53.95 1yua s LEU 64 Cb 0.00 -2.75 0.00 0.00 -0.56 0.00 0.00 46.19 42.88 1yua s LEU 64 CO 0.00 -0.94 0.01 -0.81 -1.06 0.00 0.00 176.35 173.55 1yua n PRO 65 N -2.08 0.00 0.00 1.48 -0.04 -1.26 -5.00 135.00 128.10 1yua n PRO 65 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1yua n PRO 65 Cb 0.59 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 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 -4.94 120.64 117.08 1yua n GLU 66 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1yua n GLU 66 Cb 0.00 0.00 0.22 0.00 0.27 0.00 0.00 31.44 31.93 1yua n GLU 66 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yua n LYS 67 N -0.01 0.37 0.00 5.31 4.81 -1.26 -1.76 118.16 125.62 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 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 33.73 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 -0.82 1.67 0.10 3.14 4.32 -1.26 -4.79 117.00 119.37 1yua n LEU 68 Ca 0.06 -1.67 -0.14 0.00 -0.02 0.00 0.00 56.01 54.24 1yua n LEU 68 Cb 0.03 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.74 1yua n LEU 68 CO 0.04 0.42 0.51 -0.09 -1.22 0.00 0.00 177.39 177.05 1yua h ARG 69 N 0.00 -0.61 -1.11 3.23 9.65 -1.74 -0.15 114.38 123.65 1yua h ARG 69 Ca 0.00 0.04 0.37 0.00 -1.10 0.00 0.00 59.98 59.29 1yua h ARG 69 Cb 0.34 0.14 -0.14 0.00 -1.39 0.00 0.00 29.97 28.92 1yua h ARG 69 CO 0.00 -0.41 0.67 0.10 2.80 0.00 0.00 179.97 183.13 1yua h TYR 70 N -0.63 0.75 -0.30 2.20 -0.00 -1.86 0.80 116.97 117.92 1yua h TYR 70 Ca -0.01 0.03 -0.04 0.00 -0.00 0.00 0.00 58.73 58.71 1yua h TYR 70 Cb 0.63 -0.19 -0.01 0.00 -0.00 0.00 0.00 36.73 37.15 1yua h TYR 70 CO -0.41 -0.22 0.03 -0.07 -0.00 0.00 0.00 178.16 177.50 1yua h LEU 71 N 0.19 0.49 0.00 0.10 3.38 -1.41 -1.88 115.31 116.19 1yua h LEU 71 Ca 0.77 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1yua h LEU 71 Cb 2.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1yua h LEU 71 CO -0.54 0.65 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1yua n ALA 72 N -2.34 2.01 0.79 1.53 0.00 0.25 -2.38 120.51 120.37 1yua n ALA 72 Ca -0.02 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1yua n ALA 72 Cb 0.23 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.42 0.67 -4.84 0.00 9.92 0.58 -4.52 116.55 116.94 1yua n ASP 73 Ca 0.07 -0.41 -0.30 0.00 -0.53 0.00 0.00 54.79 53.61 1yua n ASP 73 Cb 0.21 0.71 0.06 0.00 -0.64 0.00 0.00 41.12 41.46 1yua n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yua s ALA 74 N -3.10 2.63 1.10 2.24 0.00 -0.90 -5.01 121.76 118.73 1yua s ALA 74 Ca 0.07 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 1yua s ALA 74 Cb 0.16 -3.10 0.10 0.00 0.00 0.00 0.00 23.12 20.28 1yua s ALA 74 CO 0.79 -1.32 0.10 -2.30 0.00 0.00 0.00 175.76 173.03 1yua n PRO 75 N -3.16 -1.45 -2.78 0.00 -0.02 -1.26 -4.91 135.00 121.42 1yua n PRO 75 Ca 0.07 -0.40 -0.03 0.00 -2.02 0.00 0.00 63.50 61.12 1yua n PRO 75 Cb 0.56 -1.74 0.05 0.00 -0.02 0.00 0.00 33.50 32.35 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 -2.14 1.53 0.00 -0.52 10.64 -1.26 -4.67 117.38 120.96 1yua n GLN 76 Ca 0.02 -3.26 0.00 0.00 -1.83 0.00 0.00 57.00 51.93 1yua n GLN 76 Cb 0.61 -1.35 0.00 0.00 -0.86 0.00 0.00 30.24 28.64 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 -0.50 0.00 -0.74 2.61 10.64 -1.26 -2.21 117.38 125.92 1yua n GLN 77 Ca 0.06 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.33 1yua n GLN 77 Cb 0.81 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 30.16 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 -4.40 -0.64 2.61 5.68 -1.26 -2.68 116.55 115.86 1yua n ASP 78 Ca 0.00 0.42 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 1yua n ASP 78 Cb 0.00 -2.31 0.00 0.00 -1.14 0.00 0.00 41.12 37.67 1yua n ASP 78 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1yua n PRO 79 N -3.06 0.55 -0.02 0.11 -0.04 -1.26 -2.94 135.00 128.34 1yua n PRO 79 Ca -0.01 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.43 1yua n PRO 79 Cb 0.34 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.37 0.72 0.00 0.54 4.07 -1.24 -5.03 120.64 120.06 1yua n GLU 80 Ca 0.00 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1yua n GLU 80 Cb 0.18 -1.06 0.00 0.00 -0.06 0.00 0.00 31.44 30.49 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 3.25 1.00 0.76 8.31 0.00 -1.09 -4.96 105.19 112.47 1yua n GLY 81 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 2.12 -1.74 1.61 3.02 -1.18 -5.00 115.26 114.09 1yua n ASN 82 Ca 0.00 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.38 1yua n ASN 82 Cb 0.00 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 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 0.27 -4.98 -4.22 3.52 5.02 -1.25 -4.55 118.16 111.96 1yua n LYS 83 Ca 0.10 3.72 -0.22 0.00 -2.02 0.00 0.00 58.31 59.89 1yua n LYS 83 Cb 0.42 -4.21 -0.17 0.00 -0.02 0.00 0.00 35.03 31.06 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 -3.66 0.71 0.21 -0.18 2.01 -0.94 -3.93 115.64 109.86 1yua s THR 84 Ca 0.00 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1yua s THR 84 Cb 0.00 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.82 1yua s THR 84 CO 0.00 0.27 0.19 1.15 -0.69 0.00 0.00 174.62 175.54 1yua n MET 85 N 4.12 1.10 -3.13 4.92 0.00 -0.86 -1.62 117.12 121.66 1yua n MET 85 Ca -0.22 -1.30 -0.26 0.00 0.00 0.00 0.00 57.70 55.92 1yua n MET 85 Cb 0.51 0.09 -0.01 0.00 0.00 0.00 0.00 33.22 33.80 1yua n MET 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1yua s VAL 86 N -0.89 5.02 0.34 3.17 1.01 -0.90 -1.44 120.40 126.71 1yua s VAL 86 Ca 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1yua s VAL 86 Cb -0.01 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1yua s VAL 86 CO 0.09 -0.59 0.38 -0.13 0.00 0.00 0.00 175.10 174.85 1yua s ARG 87 N -4.26 1.87 -0.04 2.72 1.81 0.20 -4.45 118.95 116.80 1yua s ARG 87 Ca 0.43 -1.91 -0.02 0.00 -1.72 0.00 0.00 55.73 52.52 1yua s ARG 87 Cb -0.10 0.39 0.03 0.00 -0.45 0.00 0.00 34.95 34.81 1yua s ARG 87 CO 0.37 -0.74 0.08 0.12 -0.68 0.00 0.00 175.30 174.46 1yua s PHE 88 N -3.19 -0.07 -0.12 -0.53 5.36 -1.26 -2.16 117.98 116.01 1yua s PHE 88 Ca 0.36 0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 56.58 1yua s PHE 88 Cb 0.01 -0.11 -0.03 0.00 -0.34 0.00 0.00 43.02 42.55 1yua s PHE 88 CO 0.25 -0.10 -0.06 -1.12 -1.46 0.00 0.00 175.22 172.73 1yua s SER 89 N 0.84 4.67 0.12 6.13 0.01 -1.06 -4.94 113.70 119.47 1yua s SER 89 Ca -0.07 -0.11 0.24 0.00 1.31 0.00 0.00 55.95 57.32 1yua s SER 89 Cb -0.09 -1.56 0.26 0.00 0.21 0.00 0.00 66.02 64.84 1yua s SER 89 CO -0.03 0.24 1.25 -0.09 0.41 0.00 0.00 173.24 175.02 1yua h ARG 90 N 6.19 0.00 0.00 12.44 2.43 -1.96 0.24 114.38 133.71 1yua h ARG 90 Ca -0.37 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1yua h ARG 90 Cb 1.19 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1yua h ARG 90 CO 0.58 0.00 -0.03 0.87 -1.51 0.00 0.00 179.97 179.88 1yua h LYS 91 N 0.00 0.00 0.00 0.20 6.56 -1.99 -3.19 116.57 118.15 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 0.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1yua h LYS 91 CO 0.00 0.03 -0.05 0.25 -2.06 0.00 0.00 179.45 177.62 1yua n THR 92 N -3.36 0.00 -3.77 -0.16 -2.24 -1.24 -5.04 114.28 98.47 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 0.16 0.69 0.01 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.10 -2.55 -0.78 5.02 0.03 -4.96 118.16 113.82 1yua n LYS 93 Ca 0.00 0.59 -0.05 0.00 -2.02 0.00 0.00 58.31 56.83 1yua n LYS 93 Cb 0.52 -3.08 -0.02 0.00 -0.02 0.00 0.00 35.03 32.44 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 -3.50 0.24 -4.55 1.97 6.02 -0.98 -4.97 117.38 111.61 1yua n GLN 94 Ca -0.19 -0.81 -0.33 0.00 -0.01 0.00 0.00 57.00 55.66 1yua n GLN 94 Cb 0.62 0.63 -0.16 0.00 1.02 0.00 0.00 30.24 32.34 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 -2.34 3.01 -0.03 -1.09 1.11 -1.26 -2.55 119.66 116.50 1yua s GLN 95 Ca 0.09 -0.85 0.04 0.00 0.01 0.00 0.00 55.36 54.65 1yua s GLN 95 Cb 0.00 -2.46 -0.00 0.00 -1.01 0.00 0.00 33.01 29.54 1yua s GLN 95 CO 0.06 -0.06 -0.15 1.52 0.01 0.00 0.00 175.29 176.67 1yua s TYR 96 N 0.92 1.51 0.52 0.91 -0.85 -0.92 -2.35 117.35 117.09 1yua s TYR 96 Ca -0.04 -0.40 -0.03 0.00 -0.52 0.00 0.00 57.07 56.07 1yua s TYR 96 Cb -0.15 -1.02 -0.00 0.00 0.38 0.00 0.00 41.96 41.17 1yua s TYR 96 CO -0.04 -0.13 0.80 0.14 -1.52 0.00 0.00 175.55 174.79 1yua s VAL 97 N -0.00 3.94 -0.15 -3.49 -7.23 0.11 0.63 120.40 114.20 1yua s VAL 97 Ca -0.02 -0.17 -0.08 0.00 -1.81 0.00 0.00 61.98 59.90 1yua s VAL 97 Cb -0.10 -3.51 0.06 0.00 0.56 0.00 0.00 36.38 33.39 1yua s VAL 97 CO 0.01 -0.46 0.36 -0.44 -0.31 0.00 0.00 175.10 174.27 1yua s SER 98 N -4.25 -0.42 -0.50 4.85 0.01 -0.52 0.10 113.70 112.97 1yua s SER 98 Ca 0.51 0.78 -0.06 0.00 1.31 0.00 0.00 55.95 58.50 1yua s SER 98 Cb -0.10 0.68 -0.08 0.00 0.21 0.00 0.00 66.02 66.73 1yua s SER 98 CO 0.42 -0.19 3.10 -1.20 0.41 0.00 0.00 173.24 175.79 1yua n SER 99 N 4.31 6.41 -4.63 2.44 7.64 -0.40 -2.02 113.62 127.38 1yua n SER 99 Ca -0.23 -2.83 -0.35 0.00 1.01 0.00 0.00 58.87 56.47 1yua n SER 99 Cb 0.54 -1.36 -0.10 0.00 -1.01 0.00 0.00 64.21 62.28 1yua n SER 99 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1yua s GLU 100 N -0.11 3.44 0.20 1.43 2.02 -1.25 -3.77 118.70 120.65 1yua s GLU 100 Ca 0.63 -0.41 -0.05 0.00 0.02 0.00 0.00 54.97 55.16 1yua s GLU 100 Cb 0.31 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.57 1yua s GLU 100 CO -0.10 0.47 0.22 0.21 0.02 0.00 0.00 175.26 176.09 1yua s LYS 101 N -0.24 1.25 1.84 1.61 2.20 -1.26 -4.85 119.74 120.29 1yua s LYS 101 Ca 0.06 -1.47 0.00 0.00 -0.36 0.00 0.00 55.97 54.20 1yua s LYS 101 Cb -0.12 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1yua s LYS 101 CO 0.02 -0.44 0.00 -0.25 -0.36 0.00 0.00 175.35 174.32 1yua n ASP 102 N -0.27 0.00 -1.63 1.43 9.92 -1.26 -2.86 116.55 121.88 1yua n ASP 102 Ca -0.01 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1yua n ASP 102 Cb 0.64 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.13 1yua n ASP 102 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1yua n GLY 103 N 0.00 -0.79 0.00 0.44 0.00 -1.26 -4.99 105.19 98.59 1yua n GLY 103 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.13 5.01 -3.35 1.61 2.85 -1.13 -5.06 118.16 117.96 1yua n LYS 104 Ca -0.02 -0.07 -0.30 0.00 -1.05 0.00 0.00 58.31 56.87 1yua n LYS 104 Cb 0.53 -0.52 0.03 0.00 -0.65 0.00 0.00 35.03 34.42 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 -0.74 -2.42 -0.27 0.58 0.00 -1.26 -4.62 120.51 111.78 1yua n ALA 105 Ca 0.00 0.47 0.33 0.00 0.00 0.00 0.00 53.44 54.24 1yua n ALA 105 Cb 0.00 -2.36 0.62 0.00 0.00 0.00 0.00 19.45 17.71 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 2.23 0.12 0.00 0.00 1.35 -1.90 -3.43 112.91 111.29 1yua h THR 106 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1yua h THR 106 Cb 1.27 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1yua h THR 106 CO 0.20 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 1yua n GLY 107 N -1.72 1.04 3.76 5.82 0.00 -1.26 -5.07 105.19 107.75 1yua n GLY 107 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 3.45 -0.29 1.61 -0.00 -1.26 -4.06 118.94 116.38 1yua s TRP 108 Ca 0.00 0.38 0.03 0.00 -0.00 0.00 0.00 56.10 56.51 1yua s TRP 108 Cb 0.00 -2.13 0.17 0.00 -0.00 0.00 0.00 33.47 31.50 1yua s TRP 108 CO 0.00 0.36 0.44 -1.54 -0.00 0.00 0.00 176.95 176.22 1yua s SER 109 N 0.13 0.04 0.30 5.86 1.04 -1.26 -1.27 113.70 118.53 1yua s SER 109 Ca 0.10 -0.34 -0.09 0.00 0.48 0.00 0.00 55.95 56.10 1yua s SER 109 Cb -0.11 1.26 -0.07 0.00 0.10 0.00 0.00 66.02 67.20 1yua s SER 109 CO -0.01 -0.34 0.63 0.00 0.98 0.00 0.00 173.24 174.50 1yua s ALA 110 N 2.55 3.50 -0.02 5.32 0.00 0.11 -2.21 121.76 131.00 1yua s ALA 110 Ca 0.10 -0.29 0.07 0.00 0.00 0.00 0.00 51.96 51.84 1yua s ALA 110 Cb -0.12 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 1yua s ALA 110 CO -0.28 0.29 -0.25 -0.06 0.00 0.00 0.00 175.76 175.46 1yua s PHE 111 N -2.04 2.23 -0.57 0.00 0.40 -0.79 0.06 117.98 117.25 1yua s PHE 111 Ca 0.48 -0.44 -0.24 0.00 -0.60 0.00 0.00 56.93 56.14 1yua s PHE 111 Cb -0.11 -1.44 0.05 0.00 0.51 0.00 0.00 43.02 42.04 1yua s PHE 111 CO 0.25 -0.05 0.93 -0.47 0.70 0.00 0.00 175.22 176.58 1yua s TYR 112 N -0.55 2.78 0.00 0.36 5.04 -0.99 0.43 117.35 124.42 1yua s TYR 112 Ca 0.08 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.56 1yua s TYR 112 Cb -0.10 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 38.12 1yua s TYR 112 CO -0.01 -1.40 0.00 0.28 -1.34 0.00 0.00 175.55 173.08 1yua n VAL 113 N 6.11 0.00 -2.03 3.14 0.31 -0.45 -4.77 118.33 120.64 1yua n VAL 113 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.07 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 -0.98 4.52 2.15 -1.26 -2.88 116.67 122.23 1yua s ASP 114 Ca 0.00 -1.05 0.00 0.00 0.43 0.00 0.00 52.55 51.93 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1yua s ASP 114 CO 0.00 -2.97 0.00 0.61 -0.17 0.00 0.00 175.17 172.64 1yua n GLY 115 N 6.42 0.06 2.74 2.66 0.00 -1.26 -4.83 105.19 110.97 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 1.49 -0.82 1.61 4.01 -1.14 -5.10 118.16 115.85 1yua n LYS 116 Ca -0.12 -4.18 -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 33.02 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 2.06 -0.91 -4.00 2.13 7.02 -1.25 -1.34 117.44 121.16 1yua n TRP 117 Ca 0.23 0.28 -0.11 0.00 -1.02 0.00 0.00 57.50 56.87 1yua n TRP 117 Cb 0.39 -1.84 -0.03 0.00 -2.42 0.00 0.00 31.31 27.40 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 -3.62 0.00 -3.23 -0.99 0.24 0.17 -4.75 118.33 106.15 1yua n VAL 118 Ca 0.08 -1.40 -0.24 0.00 -2.04 0.00 0.00 64.34 60.74 1yua n VAL 118 Cb 0.53 0.81 -0.07 0.00 -1.47 0.00 0.00 33.84 33.64 1yua n VAL 118 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1yua n GLU 119 N -0.43 1.18 -2.31 7.34 1.02 -1.26 -1.89 120.64 124.30 1yua n GLU 119 Ca 0.02 -3.58 -0.34 0.00 -0.02 0.00 0.00 57.16 53.24 1yua n GLU 119 Cb 0.42 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 1yua n GLU 119 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yua s GLY 120 N -1.66 0.76 0.37 0.62 0.00 -0.94 -4.90 107.32 101.58 1yua s GLY 120 Ca 0.37 -2.03 -0.28 0.00 0.00 0.00 0.00 44.72 42.78 1yua s GLY 120 CO -0.09 3.10 1.44 0.54 0.00 0.00 0.00 173.10 178.09 1yua s LYS 121 N 5.85 4.12 0.00 2.90 -0.14 -1.26 -4.49 119.74 126.72 1yua s LYS 121 Ca 0.59 2.48 0.27 0.00 -1.36 0.00 0.00 55.97 57.94 1yua s LYS 121 Cb -0.02 -2.96 0.85 0.00 -1.68 0.00 0.00 37.83 34.02 1yua s LYS 121 CO -0.02 -0.49 1.63 1.17 -0.76 0.00 0.00 175.35 176.88