#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 -3.17 7.83 4.13 -1.26 -4.82 115.26 117.98 1yua n ASN 2 Ca 0.00 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.09 1yua n ASN 2 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1yua n ASN 2 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1yua s GLY 3 N 0.00 0.11 0.00 7.41 0.00 -1.26 -5.06 107.32 108.52 1yua s GLY 3 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1yua s GLY 3 CO 0.00 2.78 0.00 -2.21 0.00 0.00 0.00 173.10 173.67 1yua n GLU 4 N 3.14 0.00 -3.29 2.90 0.00 -1.26 -5.14 120.64 116.98 1yua n GLU 4 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.32 1yua n GLU 4 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.89 1yua n GLU 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1yua s VAL 5 N 0.00 -0.70 -0.26 6.31 -7.23 -1.26 -4.58 120.40 112.68 1yua s VAL 5 Ca 0.00 -0.12 -0.00 0.00 -1.81 0.00 0.00 61.98 60.05 1yua s VAL 5 Cb 0.00 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 36.03 1yua s VAL 5 CO 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 175.10 174.65 1yua n ALA 6 N 5.38 -3.41 -1.24 1.32 0.00 -1.26 -5.00 120.51 116.30 1yua n ALA 6 Ca -0.01 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.55 1yua n ALA 6 Cb 0.50 -0.84 0.20 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.36 -0.24 0.04 0.00 0.04 -1.26 -4.84 135.00 127.38 1yua s PRO 7 Ca 0.00 0.14 -0.13 0.00 0.04 0.00 0.00 61.00 61.05 1yua s PRO 7 Cb -0.00 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 1yua s PRO 7 CO 0.65 -3.10 1.21 -1.35 0.04 0.00 0.00 177.00 174.45 1yua h PRO 8 N -2.14 -0.24 -0.26 0.56 0.11 -2.06 -0.83 132.00 127.13 1yua h PRO 8 Ca -0.49 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1yua h PRO 8 Cb 1.31 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1yua h PRO 8 CO 0.46 -0.16 0.00 1.63 -0.21 0.00 0.00 178.00 179.72 1yua n LYS 9 N -3.61 1.46 -1.63 1.05 4.76 -1.26 -5.01 118.16 113.92 1yua n LYS 9 Ca -0.03 -0.63 0.00 0.00 -2.87 0.00 0.00 58.31 54.79 1yua n LYS 9 Cb 0.15 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 1yua n LYS 9 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1yua n GLU 10 N 0.02 -4.43 -3.15 1.97 -0.58 -0.32 -4.86 120.64 109.29 1yua n GLU 10 Ca 0.06 3.39 -0.22 0.00 -0.42 0.00 0.00 57.16 59.96 1yua n GLU 10 Cb 0.18 -4.09 -0.04 0.00 -0.57 0.00 0.00 31.44 26.92 1yua n GLU 10 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1yua n ASP 11 N -2.06 1.94 -2.80 1.62 2.03 -1.26 -4.87 116.55 111.15 1yua n ASP 11 Ca 0.00 -3.17 0.00 0.00 0.52 0.00 0.00 54.79 52.14 1yua n ASP 11 Cb 0.33 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1yua n PRO 12 N 0.41 0.75 -3.81 -0.67 -0.04 -1.26 -5.02 135.00 125.36 1yua n PRO 12 Ca 0.26 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.44 1yua n PRO 12 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.51 1.83 -1.61 0.52 0.31 -0.83 -4.91 118.33 113.14 1yua n VAL 13 Ca 0.00 -4.95 -0.54 0.00 -0.01 0.00 0.00 64.34 58.84 1yua n VAL 13 Cb 0.00 -2.18 -0.07 0.00 -0.91 0.00 0.00 33.84 30.68 1yua n VAL 13 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1yua n PRO 14 N 1.78 0.97 -2.34 5.55 -0.02 -1.26 -1.33 135.00 138.34 1yua n PRO 14 Ca 0.22 0.35 -0.28 0.00 -2.02 0.00 0.00 63.50 61.77 1yua n PRO 14 Cb 0.36 -1.98 0.01 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.97 5.00 -0.52 2.45 4.77 -0.60 -4.82 117.00 126.25 1yua n LEU 15 Ca 0.20 -5.10 0.43 0.00 -0.03 0.00 0.00 56.01 51.52 1yua n LEU 15 Cb 0.16 -0.49 0.66 0.00 -2.33 0.00 0.00 43.42 41.42 1yua n LEU 15 CO 0.66 2.17 1.35 -2.65 -1.33 0.00 0.00 177.39 177.60 1yua n PRO 16 N -0.53 0.00 0.02 3.23 -0.02 -1.26 0.31 135.00 136.76 1yua n PRO 16 Ca 0.41 1.02 -0.11 0.00 -2.02 0.00 0.00 63.50 62.81 1yua n PRO 16 Cb 0.68 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.08 -5.80 -0.52 4.81 -1.95 -3.37 114.58 107.67 1yua h GLU 17 Ca 0.75 0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 59.37 1yua h GLU 17 Cb 3.36 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 32.64 1yua h GLU 17 CO -0.01 -0.05 0.38 -1.17 -0.73 0.00 0.00 179.01 177.43 1yua s LEU 18 N -10.30 4.17 1.12 1.64 0.20 0.15 -5.03 118.68 110.63 1yua s LEU 18 Ca -0.14 0.15 -0.18 0.00 0.69 0.00 0.00 54.13 54.65 1yua s LEU 18 Cb 0.08 -3.01 0.11 0.00 -0.43 0.00 0.00 46.19 42.95 1yua s LEU 18 CO 0.67 -0.82 0.07 -2.65 -0.29 0.00 0.00 176.35 173.32 1yua n PRO 19 N 6.58 -1.60 0.00 0.98 -0.02 -1.26 -2.26 135.00 137.43 1yua n PRO 19 Ca 0.03 -0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 1yua n PRO 19 Cb 0.48 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.67 0.00 -1.12 0.00 2.13 -1.26 -5.00 120.64 113.72 1yua n GLU 21 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1yua n GLU 21 Cb 0.00 -0.03 -0.05 0.00 0.27 0.00 0.00 31.44 31.63 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 -1.43 0.07 -0.68 5.31 3.00 -1.26 -5.13 118.16 118.04 1yua n LYS 22 Ca 0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 58.31 57.22 1yua n LYS 22 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.48 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 -0.04 0.39 0.00 3.14 2.88 -1.26 -4.99 113.62 113.74 1yua n SER 23 Ca -0.25 -0.34 0.11 0.00 -1.33 0.00 0.00 58.87 57.06 1yua n SER 23 Cb 0.74 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.80 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 -0.89 0.00 -4.66 -3.46 9.92 -1.26 -4.75 116.55 111.45 1yua n ASP 24 Ca 0.00 -0.36 -0.29 0.00 -0.53 0.00 0.00 54.79 53.60 1yua n ASP 24 Cb 0.00 -0.14 0.17 0.00 -0.64 0.00 0.00 41.12 40.51 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yua s ALA 25 N -2.28 0.96 0.00 2.24 0.00 -1.26 -4.97 121.76 116.45 1yua s ALA 25 Ca 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1yua s ALA 25 Cb 0.15 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1yua s ALA 25 CO 0.29 -2.82 0.00 2.48 0.00 0.00 0.00 175.76 175.71 1yua n TYR 26 N -4.20 -0.32 -3.49 0.00 0.18 -1.26 -2.95 117.16 105.12 1yua n TYR 26 Ca 0.06 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.42 1yua n TYR 26 Cb 0.55 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.47 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 -4.24 3.69 -0.53 -3.48 0.40 -0.96 -1.49 117.98 111.36 1yua s PHE 27 Ca 0.00 -2.38 -0.28 0.00 -0.60 0.00 0.00 56.93 53.67 1yua s PHE 27 Cb 0.00 -3.56 0.03 0.00 0.51 0.00 0.00 43.02 40.00 1yua s PHE 27 CO 0.00 -0.91 1.13 0.08 0.70 0.00 0.00 175.22 176.22 1yua s VAL 28 N -0.16 4.15 -0.90 -0.44 1.01 -0.65 -1.56 120.40 121.86 1yua s VAL 28 Ca 0.19 0.96 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 1yua s VAL 28 Cb -0.13 -4.65 -0.24 0.00 0.00 0.00 0.00 36.38 31.36 1yua s VAL 28 CO -0.07 -1.17 2.32 -0.11 0.00 0.00 0.00 175.10 176.07 1yua n LEU 29 N 8.05 0.03 -4.86 3.92 0.00 -0.44 -2.54 117.00 121.17 1yua n LEU 29 Ca 0.09 -0.76 -0.33 0.00 0.00 0.00 0.00 56.01 55.01 1yua n LEU 29 Cb 0.49 -1.01 -0.06 0.00 0.00 0.00 0.00 43.42 42.84 1yua n LEU 29 CO 0.71 -1.75 0.25 -0.60 0.00 0.00 0.00 177.39 176.00 1yua s ARG 30 N 7.93 3.91 -0.19 1.96 3.52 0.12 -1.96 118.95 134.25 1yua s ARG 30 Ca 1.18 0.42 0.01 0.00 -0.13 0.00 0.00 55.73 57.21 1yua s ARG 30 Cb -0.62 -2.73 0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1yua s ARG 30 CO 0.38 0.36 -0.18 0.16 -0.81 0.00 0.00 175.30 175.21 1yua s ASP 31 N -2.09 3.28 0.00 -2.12 -4.77 -1.26 -1.53 116.67 108.18 1yua s ASP 31 Ca 0.45 -0.64 0.00 0.00 -3.30 0.00 0.00 52.55 49.06 1yua s ASP 31 Cb -0.13 -1.51 0.00 0.00 -1.09 0.00 0.00 42.92 40.20 1yua s ASP 31 CO 0.20 -0.01 0.00 0.61 0.70 0.00 0.00 175.17 176.67 1yua n GLY 32 N 4.63 0.24 3.58 2.12 0.00 -0.89 -4.94 105.19 109.93 1yua n GLY 32 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1yua n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yua s ALA 33 N 0.00 2.64 -1.18 4.61 0.00 -1.26 -4.30 121.76 122.26 1yua s ALA 33 Ca 0.00 -2.53 -0.25 0.00 0.00 0.00 0.00 51.96 49.18 1yua s ALA 33 Cb 0.00 -4.65 0.01 0.00 0.00 0.00 0.00 23.12 18.48 1yua s ALA 33 CO 0.00 -4.12 0.73 0.00 0.00 0.00 0.00 175.76 172.37 1yua n ALA 34 N 10.94 -2.55 0.00 0.00 0.00 -1.26 -4.32 120.51 123.33 1yua n ALA 34 Ca 0.46 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1yua n ALA 34 Cb 0.47 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.45 1yua n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yua n GLY 35 N -1.85 0.39 3.69 0.00 0.00 -1.26 -4.67 105.19 101.48 1yua n GLY 35 Ca -0.11 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 1yua n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yua s VAL 36 N 0.00 2.82 0.00 1.61 -7.23 -1.26 -2.10 120.40 114.23 1yua s VAL 36 Ca 0.00 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1yua s VAL 36 Cb 0.00 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1yua s VAL 36 CO 0.00 -0.18 0.00 2.22 -0.31 0.00 0.00 175.10 176.83 1yua n PHE 37 N -1.07 0.00 -3.04 2.82 -1.74 -0.58 -3.85 117.46 109.99 1yua n PHE 37 Ca -0.03 0.00 -0.44 0.00 -0.56 0.00 0.00 57.45 56.42 1yua n PHE 37 Cb 0.62 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.57 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 4.95 0.26 5.98 1.02 -0.73 0.15 118.68 130.30 1yua s LEU 38 Ca 0.00 -1.11 -0.11 0.00 0.02 0.00 0.00 54.13 52.93 1yua s LEU 38 Cb 0.00 -2.41 -0.08 0.00 0.02 0.00 0.00 46.19 43.73 1yua s LEU 38 CO 0.00 -1.14 0.60 0.00 0.02 0.00 0.00 176.35 175.82 1yua s ALA 39 N 3.09 3.51 0.28 4.21 0.00 -1.05 -3.79 121.76 128.01 1yua s ALA 39 Ca 0.16 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 1yua s ALA 39 Cb -0.20 -2.51 -0.10 0.00 0.00 0.00 0.00 23.12 20.31 1yua s ALA 39 CO 0.10 0.45 1.39 0.00 0.00 0.00 0.00 175.76 177.70 1yua s ALA 40 N -1.87 3.57 -0.89 0.00 0.00 -1.25 -1.64 121.76 119.69 1yua s ALA 40 Ca 0.49 1.31 0.15 0.00 0.00 0.00 0.00 51.96 53.90 1yua s ALA 40 Cb -0.11 -3.53 0.64 0.00 0.00 0.00 0.00 23.12 20.12 1yua s ALA 40 CO 0.21 -0.71 1.47 -1.71 0.00 0.00 0.00 175.76 175.01 1yua n ASN 41 N 1.72 0.14 -1.13 0.00 2.85 -0.56 -1.60 115.26 116.68 1yua n ASN 41 Ca 0.04 0.54 0.10 0.00 -0.11 0.00 0.00 54.58 55.15 1yua n ASN 41 Cb 0.41 -0.56 0.26 0.00 1.24 0.00 0.00 39.78 41.13 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 -1.65 0.95 -1.22 -0.44 -2.24 -1.26 -4.94 114.28 103.49 1yua n THR 42 Ca 0.03 -0.98 -0.41 0.00 -2.27 0.00 0.00 64.05 60.42 1yua n THR 42 Cb 0.16 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.31 -0.91 1.90 4.78 -0.00 -0.63 -0.39 117.46 123.52 1yua n PHE 43 Ca 0.20 0.76 0.13 0.00 -0.00 0.00 0.00 57.45 58.54 1yua n PHE 43 Cb 0.56 -1.69 0.72 0.00 -0.00 0.00 0.00 39.48 39.07 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 0.99 1.11 -0.51 -7.13 -0.04 -1.26 -4.87 135.00 123.28 1yua n PRO 44 Ca 0.14 -0.16 0.40 0.00 -0.04 0.00 0.00 63.50 63.83 1yua n PRO 44 Cb 0.27 -1.41 0.63 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.72 -0.01 -3.73 0.54 4.81 0.48 -3.60 118.16 115.93 1yua n LYS 45 Ca 0.19 0.92 -0.23 0.00 -0.87 0.00 0.00 58.31 58.32 1yua n LYS 45 Cb 0.13 -2.01 -0.18 0.00 0.02 0.00 0.00 35.03 33.00 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 -4.03 1.63 -0.10 3.14 1.04 -1.26 -4.99 113.70 109.13 1yua s SER 46 Ca -0.05 -0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.31 1yua s SER 46 Cb 0.23 -0.37 0.38 0.00 0.10 0.00 0.00 66.02 66.36 1yua s SER 46 CO 0.70 -0.23 1.10 0.54 0.98 0.00 0.00 173.24 176.34 1yua n ARG 47 N 5.18 2.72 -2.35 4.02 1.74 -1.24 -4.13 116.66 122.61 1yua n ARG 47 Ca -0.06 -1.45 -0.41 0.00 -0.77 0.00 0.00 57.85 55.16 1yua n ARG 47 Cb 0.50 -1.80 -0.01 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.32 2.85 -4.34 5.56 1.02 -1.26 -4.89 120.64 119.89 1yua n GLU 48 Ca 0.13 -3.03 -0.20 0.00 -0.02 0.00 0.00 57.16 54.04 1yua n GLU 48 Cb 0.65 -3.49 -0.16 0.00 -0.02 0.00 0.00 31.44 28.42 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 5.21 0.73 0.00 2.62 -4.23 -1.25 -3.91 115.64 114.80 1yua s THR 49 Ca 0.56 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 1yua s THR 49 Cb 0.05 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1yua s THR 49 CO 0.07 0.24 0.00 -2.11 -0.54 0.00 0.00 174.62 172.28 1yua n ARG 50 N 3.47 -0.84 -1.41 3.99 1.85 -1.25 -4.88 116.66 117.59 1yua n ARG 50 Ca -0.20 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.24 1yua n ARG 50 Cb 0.54 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.95 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yua n ALA 51 N -0.47 -1.89 -1.88 2.89 0.00 -1.25 -1.77 120.51 116.14 1yua n ALA 51 Ca 0.00 0.14 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 1yua n ALA 51 Cb 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.45 4.64 0.34 0.00 0.04 -1.26 -4.49 135.00 132.82 1yua s PRO 52 Ca 0.62 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 1yua s PRO 52 Cb -0.61 -3.16 -0.12 0.00 0.04 0.00 0.00 34.50 30.65 1yua s PRO 52 CO 0.59 0.49 1.29 -0.11 0.04 0.00 0.00 177.00 179.30 1yua n LEU 53 N 1.31 3.49 -0.25 -3.56 -0.00 -1.26 -1.98 117.00 114.75 1yua n LEU 53 Ca -0.03 1.20 -0.07 0.00 -0.00 0.00 0.00 56.01 57.11 1yua n LEU 53 Cb 0.49 -1.48 0.04 0.00 -0.00 0.00 0.00 43.42 42.47 1yua n LEU 53 CO 0.47 -0.51 0.95 0.58 -0.00 0.00 0.00 177.39 178.88 1yua h VAL 54 N 2.55 1.26 0.00 1.96 2.07 -1.61 -1.53 116.25 120.95 1yua h VAL 54 Ca -0.46 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1yua h VAL 54 Cb 1.28 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1yua h VAL 54 CO 0.63 0.36 -0.12 1.05 0.02 0.00 0.00 177.57 179.51 1yua h GLU 55 N 1.02 0.00 -0.14 1.57 4.11 -1.80 -2.65 114.58 116.69 1yua h GLU 55 Ca 0.22 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.58 1yua h GLU 55 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1yua h GLU 55 CO -0.00 0.12 -0.17 0.93 0.07 0.00 0.00 179.01 179.96 1yua h GLU 56 N 0.00 0.35 -0.57 1.06 5.08 -1.64 -2.53 114.58 116.33 1yua h GLU 56 Ca -0.00 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1yua h GLU 56 Cb 0.57 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1yua h GLU 56 CO 0.02 0.76 0.20 -0.07 -1.00 0.00 0.00 179.01 178.92 1yua h LEU 57 N -0.04 0.77 -0.40 1.33 3.38 -1.25 -1.64 115.31 117.47 1yua h LEU 57 Ca 0.02 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1yua h LEU 57 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1yua h LEU 57 CO 0.04 0.72 0.26 0.22 0.09 0.00 0.00 178.44 179.76 1yua h TYR 58 N 0.82 0.48 0.00 1.13 5.03 -1.36 -0.43 116.97 122.64 1yua h TYR 58 Ca 0.19 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.51 1yua h TYR 58 Cb 0.21 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 38.33 1yua h TYR 58 CO 0.01 0.30 -0.02 -0.09 -1.32 0.00 0.00 178.16 177.05 1yua h ARG 59 N 0.52 0.00 -0.77 1.82 2.43 -1.01 -2.32 114.38 115.05 1yua h ARG 59 Ca 0.15 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.98 1yua h ARG 59 Cb -0.05 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.30 1yua h ARG 59 CO -0.04 0.02 0.37 1.19 -1.51 0.00 0.00 179.97 180.00 1yua n PHE 60 N -3.12 2.42 -0.12 2.20 3.01 -0.25 -4.53 117.46 117.06 1yua n PHE 60 Ca 0.00 -1.57 -0.04 0.00 1.01 0.00 0.00 57.45 56.85 1yua n PHE 60 Cb 0.28 -0.76 0.17 0.00 -0.01 0.00 0.00 39.48 39.16 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 1.53 0.82 0.00 -1.08 2.43 -0.74 0.25 114.38 117.59 1yua h ARG 61 Ca 0.42 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1yua h ARG 61 Cb 2.42 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.86 1yua h ARG 61 CO 0.82 0.78 0.00 -0.40 -1.51 0.00 0.00 179.97 179.66 1yua n ASP 62 N -4.24 0.53 0.00 -3.80 5.68 -1.26 -1.24 116.55 112.21 1yua n ASP 62 Ca 0.03 0.74 0.00 0.00 -0.50 0.00 0.00 54.79 55.06 1yua n ASP 62 Cb 0.26 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 1yua n ASP 62 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1yua n ARG 63 N -2.20 1.76 -1.67 0.11 0.63 -0.46 -5.04 116.66 109.79 1yua n ARG 63 Ca -0.01 -0.31 -0.62 0.00 -0.92 0.00 0.00 57.85 55.99 1yua n ARG 63 Cb 0.05 -0.81 -0.08 0.00 0.45 0.00 0.00 32.46 32.07 1yua n ARG 63 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1yua n LEU 64 N -0.34 1.25 -2.05 6.15 0.00 0.76 -4.76 117.00 118.00 1yua n LEU 64 Ca 0.00 1.15 -0.14 0.00 0.00 0.00 0.00 56.01 57.02 1yua n LEU 64 Cb 0.01 -0.98 -0.16 0.00 0.00 0.00 0.00 43.42 42.29 1yua n LEU 64 CO 0.00 -1.01 1.61 -0.81 0.00 0.00 0.00 177.39 177.18 1yua n PRO 65 N 3.60 2.04 0.00 1.96 -0.04 -1.26 -4.90 135.00 136.40 1yua n PRO 65 Ca 0.26 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1yua n PRO 65 Cb 0.04 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1yua n PRO 65 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yua n GLU 66 N 2.30 0.00 -1.55 0.54 2.13 -1.26 -4.47 120.64 118.33 1yua n GLU 66 Ca 0.43 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.98 1yua n GLU 66 Cb 0.87 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.53 1yua n GLU 66 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1yua n LYS 67 N 0.00 0.78 0.00 5.31 2.85 -1.26 -2.13 118.16 123.71 1yua n LYS 67 Ca 0.00 -0.32 0.00 0.00 -1.05 0.00 0.00 58.31 56.94 1yua n LYS 67 Cb 0.00 -3.37 0.00 0.00 -0.65 0.00 0.00 35.03 31.01 1yua n LYS 67 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1yua n LEU 68 N 16.41 0.00 -0.25 -5.58 0.00 -1.26 -5.00 117.00 121.33 1yua n LEU 68 Ca 0.43 0.00 0.05 0.00 0.00 0.00 0.00 56.01 56.49 1yua n LEU 68 Cb 0.47 0.00 0.16 0.00 0.00 0.00 0.00 43.42 44.05 1yua n LEU 68 CO 0.67 0.00 0.86 -0.09 0.00 0.00 0.00 177.39 178.83 1yua h ARG 69 N 0.00 0.14 -0.93 1.96 2.43 -1.78 0.12 114.38 116.31 1yua h ARG 69 Ca 0.00 -0.01 0.28 0.00 -0.81 0.00 0.00 59.98 59.44 1yua h ARG 69 Cb 0.00 -0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 29.36 1yua h ARG 69 CO 0.00 0.10 0.25 0.10 -1.51 0.00 0.00 179.97 178.91 1yua h TYR 70 N 0.15 0.36 -0.36 2.20 -0.00 -1.94 0.88 116.97 118.26 1yua h TYR 70 Ca 0.40 0.05 -0.16 0.00 0.00 0.00 0.00 58.73 59.03 1yua h TYR 70 Cb 0.71 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 37.42 1yua h TYR 70 CO -0.36 -0.30 -0.41 -0.07 -0.00 0.00 0.00 178.16 177.01 1yua h LEU 71 N 0.14 0.95 0.00 0.10 3.38 -1.19 -2.48 115.31 116.21 1yua h LEU 71 Ca 0.62 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1yua h LEU 71 Cb 1.35 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1yua h LEU 71 CO -0.74 1.23 0.00 0.00 0.09 0.00 0.00 178.44 179.02 1yua n ALA 72 N -2.54 2.28 1.09 1.53 0.00 0.26 -2.47 120.51 120.65 1yua n ALA 72 Ca -0.02 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1yua n ALA 72 Cb 0.55 -1.39 0.18 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.21 1.06 -4.88 0.00 8.00 0.15 -4.64 116.55 115.03 1yua n ASP 73 Ca 0.13 -0.85 -0.30 0.00 0.71 0.00 0.00 54.79 54.49 1yua n ASP 73 Cb 0.16 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.73 3.22 -0.05 2.24 0.00 -1.03 -4.95 121.76 118.46 1yua s ALA 74 Ca 0.17 -0.24 -0.37 0.00 0.00 0.00 0.00 51.96 51.52 1yua s ALA 74 Cb 0.18 -2.89 -0.15 0.00 0.00 0.00 0.00 23.12 20.26 1yua s ALA 74 CO 0.64 -0.52 1.58 -2.30 0.00 0.00 0.00 175.76 175.16 1yua n PRO 75 N -2.46 1.41 -1.67 0.00 -0.02 -1.26 -4.86 135.00 126.14 1yua n PRO 75 Ca 0.04 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.69 1yua n PRO 75 Cb 0.54 -2.21 0.06 0.00 -0.02 0.00 0.00 33.50 31.87 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 4.15 2.88 0.00 -0.52 10.64 -1.26 -4.51 117.38 128.76 1yua n GLN 76 Ca 0.22 -3.56 0.00 0.00 -1.83 0.00 0.00 57.00 51.83 1yua n GLN 76 Cb 0.20 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.30 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 -0.75 0.00 -0.00 2.61 10.64 -1.26 -2.14 117.38 126.47 1yua n GLN 77 Ca 0.56 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.73 1yua n GLN 77 Cb 0.58 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.96 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 -0.02 0.25 2.61 5.75 -1.26 -2.57 116.55 121.30 1yua n ASP 78 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.85 1yua n ASP 78 Cb 0.00 -0.01 0.34 0.00 -1.03 0.00 0.00 41.12 40.41 1yua n ASP 78 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1yua h PRO 79 N -0.00 0.00 0.00 0.11 0.11 -2.00 -2.77 132.00 127.45 1yua h PRO 79 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1yua h PRO 79 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1yua h PRO 79 CO 0.00 0.00 -0.12 1.49 -0.21 0.00 0.00 178.00 179.16 1yua h GLU 80 N 0.00 0.00 0.00 1.05 4.22 -1.98 -3.50 114.58 114.37 1yua h GLU 80 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1yua h GLU 80 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1yua h GLU 80 CO 0.00 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.24 1yua n GLY 81 N 1.73 0.40 1.59 1.92 0.00 -1.05 -5.02 105.19 104.76 1yua n GLY 81 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 4.72 -1.78 1.61 3.02 -1.06 -5.02 115.26 116.75 1yua n ASN 82 Ca 0.00 -2.69 0.00 0.00 -0.03 0.00 0.00 54.58 51.86 1yua n ASN 82 Cb 0.00 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 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 0.57 -5.07 -4.11 3.52 5.02 -1.25 -3.91 118.16 112.94 1yua n LYS 83 Ca 0.22 3.75 -0.21 0.00 -2.02 0.00 0.00 58.31 60.06 1yua n LYS 83 Cb 0.98 -4.21 -0.17 0.00 -0.02 0.00 0.00 35.03 31.61 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 -3.28 0.56 0.14 -0.18 2.01 -0.91 -3.88 115.64 110.09 1yua s THR 84 Ca 0.00 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1yua s THR 84 Cb 0.00 -0.60 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1yua s THR 84 CO 0.00 0.24 0.13 1.15 -0.69 0.00 0.00 174.62 175.45 1yua n MET 85 N 4.23 1.17 -3.26 4.92 0.00 -0.85 -1.79 117.12 121.54 1yua n MET 85 Ca -0.22 -0.82 -0.23 0.00 0.00 0.00 0.00 57.70 56.43 1yua n MET 85 Cb 0.51 0.04 -0.00 0.00 0.00 0.00 0.00 33.22 33.77 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 -0.42 4.67 0.35 3.17 1.01 -0.84 -1.31 120.40 127.04 1yua s VAL 86 Ca 0.10 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1yua s VAL 86 Cb -0.01 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1yua s VAL 86 CO 0.06 -0.46 0.41 0.54 0.00 0.00 0.00 175.10 175.66 1yua n ARG 87 N -1.87 0.60 -3.79 2.72 5.12 0.29 -4.38 116.66 115.35 1yua n ARG 87 Ca -0.02 -3.08 -0.16 0.00 -1.93 0.00 0.00 57.85 52.66 1yua n ARG 87 Cb 0.57 2.77 -0.16 0.00 -1.16 0.00 0.00 32.46 34.48 1yua n ARG 87 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1yua s PHE 88 N -3.07 0.09 -0.13 -1.55 2.19 -1.26 -2.11 117.98 112.13 1yua s PHE 88 Ca 0.34 0.12 -0.04 0.00 0.33 0.00 0.00 56.93 57.68 1yua s PHE 88 Cb 0.00 -0.29 -0.03 0.00 -1.31 0.00 0.00 43.02 41.39 1yua s PHE 88 CO 0.24 -0.11 -0.01 -1.12 1.83 0.00 0.00 175.22 176.06 1yua s SER 89 N 1.17 5.10 0.07 6.13 0.01 -1.04 -4.93 113.70 120.20 1yua s SER 89 Ca -0.08 0.01 0.25 0.00 1.31 0.00 0.00 55.95 57.43 1yua s SER 89 Cb -0.13 -1.69 0.41 0.00 0.21 0.00 0.00 66.02 64.82 1yua s SER 89 CO -0.03 0.25 1.35 -1.14 0.41 0.00 0.00 173.24 174.08 1yua n ARG 90 N 3.02 0.17 0.31 12.44 0.63 -1.26 -1.10 116.66 130.87 1yua n ARG 90 Ca -0.18 0.04 0.19 0.00 -0.92 0.00 0.00 57.85 56.99 1yua n ARG 90 Cb 0.53 -1.60 0.98 0.00 0.45 0.00 0.00 32.46 32.82 1yua n ARG 90 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1yua h LYS 91 N 0.00 0.00 0.00 -0.14 6.56 -1.98 -3.22 116.57 117.79 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 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 1yua h LYS 91 CO 0.00 0.02 -0.12 0.25 -2.06 0.00 0.00 179.45 177.53 1yua n THR 92 N -3.21 0.00 -3.85 -0.16 -2.24 -1.24 -5.03 114.28 98.55 1yua n THR 92 Ca -0.02 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 1yua n THR 92 Cb 0.16 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.87 -2.31 -0.78 5.02 -0.25 -4.96 118.16 114.01 1yua n LYS 93 Ca 0.00 0.42 -0.03 0.00 -2.02 0.00 0.00 58.31 56.68 1yua n LYS 93 Cb 0.55 -3.03 -0.01 0.00 -0.02 0.00 0.00 35.03 32.52 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 -4.04 0.47 -4.30 1.97 6.02 -0.97 -4.97 117.38 111.55 1yua n GLN 94 Ca -0.15 -0.45 -0.33 0.00 -0.01 0.00 0.00 57.00 56.05 1yua n GLN 94 Cb 0.60 0.31 -0.16 0.00 1.02 0.00 0.00 30.24 32.01 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 -2.19 2.99 -0.03 -1.09 2.00 -1.26 -2.51 119.66 117.56 1yua s GLN 95 Ca 0.04 -0.83 0.06 0.00 -2.00 0.00 0.00 55.36 52.62 1yua s GLN 95 Cb 0.00 -2.52 -0.01 0.00 0.80 0.00 0.00 33.01 31.28 1yua s GLN 95 CO 0.03 -0.14 -0.20 1.52 -0.50 0.00 0.00 175.29 175.99 1yua s TYR 96 N 1.13 1.91 0.63 1.67 -0.85 -0.90 -2.31 117.35 118.63 1yua s TYR 96 Ca 0.01 -0.46 -0.04 0.00 -0.52 0.00 0.00 57.07 56.06 1yua s TYR 96 Cb -0.14 -1.25 0.04 0.00 0.38 0.00 0.00 41.96 40.99 1yua s TYR 96 CO -0.09 -0.11 0.91 0.14 -1.52 0.00 0.00 175.55 174.88 1yua s VAL 97 N -0.27 2.74 -0.16 -3.49 -7.23 0.11 0.10 120.40 112.20 1yua s VAL 97 Ca 0.02 -0.34 -0.07 0.00 -1.81 0.00 0.00 61.98 59.79 1yua s VAL 97 Cb -0.10 -3.11 0.07 0.00 0.56 0.00 0.00 36.38 33.80 1yua s VAL 97 CO 0.01 -0.11 0.35 -0.55 -0.31 0.00 0.00 175.10 174.49 1yua s SER 98 N -4.44 -0.13 -0.29 4.85 0.15 -0.43 -0.93 113.70 112.48 1yua s SER 98 Ca 0.57 0.79 -0.05 0.00 0.70 0.00 0.00 55.95 57.96 1yua s SER 98 Cb -0.11 0.90 -0.10 0.00 -1.71 0.00 0.00 66.02 65.01 1yua s SER 98 CO 0.43 -0.22 3.18 -1.20 1.20 0.00 0.00 173.24 176.63 1yua n SER 99 N 4.98 5.98 -4.31 5.45 7.64 -0.03 -2.02 113.62 131.32 1yua n SER 99 Ca -0.13 -2.84 -0.46 0.00 1.01 0.00 0.00 58.87 56.45 1yua n SER 99 Cb 0.51 -1.33 -0.05 0.00 -1.01 0.00 0.00 64.21 62.33 1yua n SER 99 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1yua s GLU 100 N -0.30 3.09 0.31 1.43 -6.30 -1.25 -4.02 118.70 111.65 1yua s GLU 100 Ca 0.63 -1.88 -0.15 0.00 -2.50 0.00 0.00 54.97 51.07 1yua s GLU 100 Cb 0.34 -4.30 0.02 0.00 0.00 0.00 0.00 34.13 30.20 1yua s GLU 100 CO -0.11 -1.31 0.65 0.15 0.02 0.00 0.00 175.26 174.66 1yua s LYS 101 N 1.26 1.89 0.00 4.30 1.02 -1.25 -4.82 119.74 122.14 1yua s LYS 101 Ca 0.06 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 54.75 1yua s LYS 101 Cb -0.25 0.56 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 1yua s LYS 101 CO 0.00 -0.85 0.00 -3.47 -0.92 0.00 0.00 175.35 170.11 1yua n ASP 102 N -0.88 0.00 0.00 2.83 -0.08 -1.26 -3.17 116.55 114.00 1yua n ASP 102 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1yua n ASP 102 Cb 0.60 -0.08 0.00 0.00 2.34 0.00 0.00 41.12 43.98 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 -2.00 0.83 0.00 0.27 0.00 -1.26 -4.94 105.19 98.09 1yua n GLY 103 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.03 4.84 -4.01 1.61 2.85 -1.19 -5.03 118.16 116.21 1yua n LYS 104 Ca 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 1yua n LYS 104 Cb 0.35 -0.58 -0.01 0.00 -0.65 0.00 0.00 35.03 34.15 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 -1.01 -2.35 -0.31 0.58 0.00 -1.26 -4.75 120.51 111.39 1yua n ALA 105 Ca 0.00 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.16 1yua n ALA 105 Cb 0.00 -2.38 0.28 0.00 0.00 0.00 0.00 19.45 17.35 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 -2.13 0.17 0.00 0.00 1.35 -1.86 -3.45 112.91 106.99 1yua h THR 106 Ca -0.68 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1yua h THR 106 Cb 1.39 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1yua h THR 106 CO 0.57 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1yua n GLY 107 N -1.44 2.42 3.55 5.82 0.00 -1.26 -5.03 105.19 109.26 1yua n GLY 107 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 1yua n GLY 107 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1yua n TRP 108 N -1.24 0.80 -3.15 1.61 -0.00 -1.25 -4.49 117.44 109.72 1yua n TRP 108 Ca 0.00 0.70 0.04 0.00 -0.00 0.00 0.00 57.50 58.25 1yua n TRP 108 Cb 0.00 -2.18 -0.01 0.00 -0.00 0.00 0.00 31.31 29.12 1yua n TRP 108 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1yua s SER 109 N -0.69 -1.17 0.28 5.87 0.01 -1.25 -0.85 113.70 115.90 1yua s SER 109 Ca 0.60 0.71 -0.00 0.00 1.31 0.00 0.00 55.95 58.56 1yua s SER 109 Cb -0.70 1.97 -0.04 0.00 0.21 0.00 0.00 66.02 67.46 1yua s SER 109 CO 0.59 -0.22 0.48 0.00 0.41 0.00 0.00 173.24 174.50 1yua s ALA 110 N 2.88 3.75 -0.05 1.44 0.00 -0.11 -1.31 121.76 128.36 1yua s ALA 110 Ca 0.15 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1yua s ALA 110 Cb -0.14 -2.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 1yua s ALA 110 CO -0.19 0.20 -0.25 -0.06 0.00 0.00 0.00 175.76 175.47 1yua s PHE 111 N -2.09 2.34 -0.59 0.00 0.40 -0.76 0.04 117.98 117.30 1yua s PHE 111 Ca 0.40 -0.63 -0.24 0.00 -0.60 0.00 0.00 56.93 55.86 1yua s PHE 111 Cb -0.10 -1.53 0.05 0.00 0.51 0.00 0.00 43.02 41.95 1yua s PHE 111 CO 0.32 -0.17 0.98 -0.47 0.70 0.00 0.00 175.22 176.58 1yua s TYR 112 N -0.27 2.72 0.00 0.36 5.04 -0.98 0.26 117.35 124.48 1yua s TYR 112 Ca 0.00 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 1yua s TYR 112 Cb -0.12 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 38.00 1yua s TYR 112 CO 0.02 -1.49 0.00 0.28 -1.34 0.00 0.00 175.55 173.02 1yua n VAL 113 N 6.15 0.00 -2.01 3.14 0.31 -0.49 -4.73 118.33 120.70 1yua n VAL 113 Ca 0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.08 1yua n VAL 113 Cb 0.47 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.34 1yua n VAL 113 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1yua s ASP 114 N -1.00 4.95 -0.94 4.52 1.01 -1.26 -2.87 116.67 121.08 1yua s ASP 114 Ca 0.00 -1.03 0.00 0.00 0.71 0.00 0.00 52.55 52.23 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1yua s ASP 114 CO 0.00 -3.03 0.00 0.61 0.21 0.00 0.00 175.17 172.96 1yua n GLY 115 N 6.42 0.02 2.76 0.21 0.00 -1.26 -4.83 105.19 108.50 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 1.60 -1.08 1.61 4.01 -1.14 -5.10 118.16 115.69 1yua n LYS 116 Ca -0.11 -4.26 -0.34 0.00 -0.51 0.00 0.00 58.31 53.08 1yua n LYS 116 Cb 0.50 -2.16 0.10 0.00 -0.51 0.00 0.00 35.03 32.96 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 1.99 -0.20 -4.21 2.13 7.02 -1.25 -1.40 117.44 121.52 1yua n TRP 117 Ca 0.23 0.34 -0.16 0.00 -1.02 0.00 0.00 57.50 56.88 1yua n TRP 117 Cb 0.38 -1.95 -0.08 0.00 -2.42 0.00 0.00 31.31 27.24 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 -2.11 0.00 -0.08 -0.99 -7.23 0.14 -4.78 120.40 105.35 1yua s VAL 118 Ca 0.66 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 1yua s VAL 118 Cb -0.29 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1yua s VAL 118 CO 0.58 0.00 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.56 1yua s GLU 119 N -3.56 2.43 -0.00 4.82 8.01 -1.26 -1.83 118.70 127.30 1yua s GLU 119 Ca 0.37 -0.72 0.03 0.00 0.01 0.00 0.00 54.97 54.66 1yua s GLU 119 Cb 0.03 -1.93 -0.04 0.00 -4.31 0.00 0.00 34.13 27.88 1yua s GLU 119 CO 0.22 0.18 0.07 0.41 0.01 0.00 0.00 175.26 176.14 1yua n GLY 120 N 3.46 0.10 2.69 -1.39 0.00 -0.43 -4.93 105.19 104.69 1yua n GLY 120 Ca -0.20 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.95 0.56 0.00 1.61 3.01 -1.25 -4.86 119.74 116.86 1yua s LYS 121 Ca -0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 55.97 54.19 1yua s LYS 121 Cb 0.02 -1.81 0.00 0.00 -1.01 0.00 0.00 37.83 35.02 1yua s LYS 121 CO 0.10 -0.91 0.00 1.17 0.51 0.00 0.00 175.35 176.23