#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 2.06 0.00 7.83 5.15 -1.26 -4.93 115.26 124.11 1yua n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1yua n ASN 2 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1yua n ASN 2 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1yua n GLY 3 N 2.72 -2.38 2.80 8.20 0.00 -1.26 -4.75 105.19 110.52 1yua n GLY 3 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1yua n GLY 3 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yua n GLU 4 N -0.29 -1.68 -3.37 1.61 1.02 -1.26 -4.87 120.64 111.80 1yua n GLU 4 Ca 0.00 0.75 -0.26 0.00 -0.02 0.00 0.00 57.16 57.63 1yua n GLU 4 Cb 0.00 -5.13 -0.10 0.00 -0.02 0.00 0.00 31.44 26.19 1yua n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1yua s VAL 5 N -1.70 0.16 -0.44 2.62 0.11 -1.26 -4.98 120.40 114.92 1yua s VAL 5 Ca 0.00 -2.21 -0.25 0.00 -2.93 0.00 0.00 61.98 56.60 1yua s VAL 5 Cb 0.00 -1.11 0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1yua s VAL 5 CO 0.00 -1.07 0.62 0.00 -3.33 0.00 0.00 175.10 171.33 1yua n ALA 6 N 3.25 -2.75 -1.30 1.54 0.00 -1.26 -4.95 120.51 115.03 1yua n ALA 6 Ca 0.23 0.88 -0.29 0.00 0.00 0.00 0.00 53.44 54.27 1yua n ALA 6 Cb 0.45 -3.24 0.16 0.00 0.00 0.00 0.00 19.45 16.83 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 -2.55 0.64 0.66 0.00 0.04 -1.26 -5.02 135.00 127.51 1yua s PRO 7 Ca 0.30 0.41 -0.08 0.00 0.04 0.00 0.00 61.00 61.67 1yua s PRO 7 Cb -0.06 -1.77 0.13 0.00 0.04 0.00 0.00 34.50 32.84 1yua s PRO 7 CO 0.81 -2.57 0.30 -2.30 0.04 0.00 0.00 177.00 173.28 1yua n PRO 8 N -4.04 -1.11 -3.17 0.56 -0.02 -1.26 -4.41 135.00 121.54 1yua n PRO 8 Ca 0.06 -0.50 -0.07 0.00 -2.02 0.00 0.00 63.50 60.97 1yua n PRO 8 Cb 0.58 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 1yua n PRO 8 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1yua n LYS 9 N -1.45 -1.53 0.00 -0.52 4.76 -1.26 -4.96 118.16 113.20 1yua n LYS 9 Ca 0.05 1.46 0.00 0.00 -2.87 0.00 0.00 58.31 56.95 1yua n LYS 9 Cb 0.21 -5.03 0.00 0.00 -1.84 0.00 0.00 35.03 28.36 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 -1.66 0.00 -3.82 1.97 4.71 -1.26 -5.05 120.64 115.53 1yua n GLU 10 Ca -0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.79 1yua n GLU 10 Cb 0.53 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.98 1yua n GLU 10 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1yua n ASP 11 N -1.89 -4.90 0.01 1.62 9.92 -1.26 -4.91 116.55 115.13 1yua n ASP 11 Ca 0.00 -1.03 -0.00 0.00 -0.53 0.00 0.00 54.79 53.23 1yua n ASP 11 Cb 0.00 -2.22 -0.00 0.00 -0.64 0.00 0.00 41.12 38.26 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 -1.33 -0.03 -2.05 -0.24 0.13 -1.94 -3.43 132.00 123.12 1yua h PRO 12 Ca -0.62 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 63.98 1yua h PRO 12 Cb 1.37 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 32.10 1yua h PRO 12 CO 0.43 -0.02 -1.07 0.28 -0.23 0.00 0.00 178.00 177.40 1yua n VAL 13 N -2.39 0.19 -1.62 1.56 0.31 -1.14 -5.02 118.33 110.22 1yua n VAL 13 Ca -0.00 -4.55 -0.49 0.00 -0.01 0.00 0.00 64.34 59.29 1yua n VAL 13 Cb 0.01 -1.08 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 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 0.64 1.56 -2.42 5.55 -0.02 -1.26 -1.00 135.00 138.04 1yua n PRO 14 Ca 0.25 0.56 -0.27 0.00 -2.02 0.00 0.00 63.50 62.01 1yua n PRO 14 Cb 0.57 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.68 4.88 -0.29 2.45 4.77 -0.56 -4.82 117.00 126.11 1yua n LEU 15 Ca 0.17 -5.17 0.29 0.00 -0.03 0.00 0.00 56.01 51.26 1yua n LEU 15 Cb 0.24 -0.48 0.53 0.00 -2.33 0.00 0.00 43.42 41.38 1yua n LEU 15 CO 0.62 2.21 0.95 -2.65 -1.33 0.00 0.00 177.39 177.19 1yua n PRO 16 N -0.50 -0.05 -0.26 3.23 -0.02 -1.26 0.25 135.00 136.38 1yua n PRO 16 Ca 0.40 1.24 -0.01 0.00 -2.02 0.00 0.00 63.50 63.12 1yua n PRO 16 Cb 0.66 -2.23 0.06 0.00 -0.02 0.00 0.00 33.50 31.96 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 -0.05 -5.88 -0.52 4.81 -1.96 -3.29 114.58 107.69 1yua h GLU 17 Ca 0.76 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 59.38 1yua h GLU 17 Cb 2.02 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 31.29 1yua h GLU 17 CO -0.70 -0.04 0.43 -1.17 -0.73 0.00 0.00 179.01 176.81 1yua s LEU 18 N -10.91 4.19 0.77 1.64 2.96 0.14 -5.03 118.68 112.44 1yua s LEU 18 Ca -0.14 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.58 1yua s LEU 18 Cb 0.20 -3.01 0.05 0.00 0.50 0.00 0.00 46.19 43.93 1yua s LEU 18 CO 0.73 -0.97 1.09 -2.16 -1.32 0.00 0.00 176.35 173.72 1yua s PRO 19 N 3.45 2.26 0.00 0.98 0.04 -1.24 -2.46 135.00 138.03 1yua s PRO 19 Ca 0.32 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1yua s PRO 19 Cb -0.12 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1yua s PRO 19 CO 0.23 -1.64 0.00 0.00 0.04 0.00 0.00 177.00 175.63 1yua n GLU 21 N 0.00 0.00 -0.65 0.00 1.02 -1.26 -5.03 120.64 114.72 1yua n GLU 21 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1yua n GLU 21 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 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 0.00 0.00 -0.52 3.49 0.00 -1.26 -4.91 118.16 114.96 1yua n LYS 22 Ca 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 58.31 58.05 1yua n LYS 22 Cb 0.00 0.12 0.30 0.00 0.00 0.00 0.00 35.03 35.44 1yua n LYS 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1yua n SER 23 N 0.01 4.28 -0.02 3.14 2.88 -1.26 -4.89 113.62 117.77 1yua n SER 23 Ca -0.07 -2.62 -0.00 0.00 -1.33 0.00 0.00 58.87 54.84 1yua n SER 23 Cb 0.57 -0.52 -0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1yua n SER 23 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1yua n ASP 24 N 0.41 -3.07 -3.51 -3.46 -0.08 -1.26 -5.03 116.55 100.55 1yua n ASP 24 Ca 0.22 0.01 -0.20 0.00 -1.51 0.00 0.00 54.79 53.30 1yua n ASP 24 Cb 0.85 -0.59 0.14 0.00 2.34 0.00 0.00 41.12 43.85 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yua n ALA 25 N 1.00 -0.82 -3.00 -1.67 0.00 -1.26 -4.99 120.51 109.77 1yua n ALA 25 Ca -0.00 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1yua n ALA 25 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -3.14 -0.42 -3.67 0.00 4.11 -1.26 -3.12 117.16 109.65 1yua n TYR 26 Ca 0.12 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.66 1yua n TYR 26 Cb 0.43 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.69 1yua n TYR 26 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 1yua s PHE 27 N -4.94 3.69 -0.65 -3.48 0.40 -1.03 -1.43 117.98 110.54 1yua s PHE 27 Ca 0.00 -2.90 -0.27 0.00 -0.60 0.00 0.00 56.93 53.16 1yua s PHE 27 Cb 0.00 -3.21 -0.00 0.00 0.51 0.00 0.00 43.02 40.32 1yua s PHE 27 CO 0.00 -0.77 1.62 0.08 0.70 0.00 0.00 175.22 176.85 1yua s VAL 28 N -0.84 3.52 -0.14 -0.44 1.01 -0.69 -1.49 120.40 121.33 1yua s VAL 28 Ca 0.23 0.32 -0.31 0.00 0.00 0.00 0.00 61.98 62.22 1yua s VAL 28 Cb -0.12 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.86 1yua s VAL 28 CO -0.09 -1.25 2.08 -0.11 0.00 0.00 0.00 175.10 175.73 1yua n LEU 29 N 11.29 3.38 0.00 3.92 7.94 -0.17 -3.00 117.00 140.36 1yua n LEU 29 Ca 0.14 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.62 1yua n LEU 29 Cb 0.51 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1yua n LEU 29 CO 0.71 -0.33 0.00 0.54 -1.11 0.00 0.00 177.39 177.20 1yua n ARG 30 N 7.91 3.58 -3.69 1.96 1.74 -0.04 -2.90 116.66 125.22 1yua n ARG 30 Ca 0.27 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.17 1yua n ARG 30 Cb 0.37 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.64 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 1.00 0.92 -0.26 0.55 -4.77 -1.26 -2.30 116.67 110.55 1yua s ASP 31 Ca 0.00 0.11 0.01 0.00 -3.30 0.00 0.00 52.55 49.37 1yua s ASP 31 Cb 0.00 -0.08 0.31 0.00 -1.09 0.00 0.00 42.92 42.06 1yua s ASP 31 CO 0.00 -0.23 1.63 0.61 0.70 0.00 0.00 175.17 177.88 1yua n GLY 32 N 5.12 3.54 1.86 2.12 0.00 -0.62 -4.96 105.19 112.24 1yua n GLY 32 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.16 -2.08 0.00 4.61 0.00 -1.26 -4.46 120.51 117.17 1yua n ALA 33 Ca 0.31 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1yua n ALA 33 Cb 0.95 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.85 0.00 -3.00 0.00 0.00 -1.26 -4.88 120.51 112.21 1yua n ALA 34 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1yua n ALA 34 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.11 0.15 0.63 0.00 0.00 -1.26 -4.83 107.32 101.89 1yua s GLY 35 Ca 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.34 1yua s GLY 35 CO 0.00 -0.50 0.87 -1.34 0.00 0.00 0.00 173.10 172.13 1yua s VAL 36 N -1.57 2.36 -0.14 1.40 -7.23 -1.26 -1.59 120.40 112.37 1yua s VAL 36 Ca -0.14 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1yua s VAL 36 Cb -0.08 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1yua s VAL 36 CO -0.00 0.00 0.00 2.22 -0.31 0.00 0.00 175.10 177.01 1yua n PHE 37 N -2.54 0.00 -3.72 2.82 -1.74 -0.97 -4.21 117.46 107.09 1yua n PHE 37 Ca 0.12 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.72 1yua n PHE 37 Cb 0.60 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.45 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 1.70 0.26 5.98 1.02 -1.19 -0.87 118.68 125.59 1yua s LEU 38 Ca 0.00 -1.32 -0.11 0.00 0.02 0.00 0.00 54.13 52.73 1yua s LEU 38 Cb 0.00 -0.73 -0.08 0.00 0.02 0.00 0.00 46.19 45.41 1yua s LEU 38 CO 0.00 -0.38 0.60 0.00 0.02 0.00 0.00 176.35 176.60 1yua s ALA 39 N 1.75 3.50 0.33 4.21 0.00 -1.16 -3.82 121.76 126.56 1yua s ALA 39 Ca 0.06 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.53 1yua s ALA 39 Cb -0.17 -2.52 -0.10 0.00 0.00 0.00 0.00 23.12 20.33 1yua s ALA 39 CO -0.20 0.43 1.23 0.00 0.00 0.00 0.00 175.76 177.22 1yua s ALA 40 N -1.89 3.42 -1.53 0.00 0.00 -1.24 -1.69 121.76 118.82 1yua s ALA 40 Ca 0.49 1.12 0.16 0.00 0.00 0.00 0.00 51.96 53.73 1yua s ALA 40 Cb -0.11 -3.43 0.84 0.00 0.00 0.00 0.00 23.12 20.42 1yua s ALA 40 CO 0.21 -0.51 1.44 -1.71 0.00 0.00 0.00 175.76 175.20 1yua n ASN 41 N 0.78 0.00 -0.80 0.00 2.85 -0.51 -1.70 115.26 115.88 1yua n ASN 41 Ca 0.00 -0.04 0.09 0.00 -0.11 0.00 0.00 54.58 54.52 1yua n ASN 41 Cb 0.43 -0.23 0.11 0.00 1.24 0.00 0.00 39.78 41.33 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 -1.23 0.22 -1.19 -0.44 -2.24 -1.26 -4.91 114.28 103.23 1yua n THR 42 Ca 0.08 -0.61 -0.39 0.00 -2.27 0.00 0.00 64.05 60.86 1yua n THR 42 Cb 0.11 1.18 -0.01 0.00 -2.10 0.00 0.00 70.33 69.51 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 1.05 -1.23 1.55 4.78 -0.00 -0.69 -0.93 117.46 122.00 1yua n PHE 43 Ca 0.12 0.69 0.15 0.00 -0.00 0.00 0.00 57.45 58.41 1yua n PHE 43 Cb 0.47 -1.65 0.80 0.00 -0.00 0.00 0.00 39.48 39.10 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 1.05 0.56 -0.63 -7.13 -0.04 -1.26 -4.82 135.00 122.73 1yua n PRO 44 Ca 0.13 -0.01 0.49 0.00 -0.04 0.00 0.00 63.50 64.07 1yua n PRO 44 Cb 0.29 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.04 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 0.02 0.01 -3.30 0.54 3.64 -1.43 -3.08 116.57 112.97 1yua h LYS 45 Ca 0.00 -0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1yua h LYS 45 Cb 0.23 -0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.65 1yua h LYS 45 CO 0.00 0.00 -0.76 -1.12 -2.27 0.00 0.00 179.45 175.30 1yua s SER 46 N -4.07 3.83 -0.29 4.20 0.01 -1.26 -4.98 113.70 111.15 1yua s SER 46 Ca -0.06 -1.85 -0.00 0.00 1.31 0.00 0.00 55.95 55.36 1yua s SER 46 Cb 0.28 -0.82 0.24 0.00 0.21 0.00 0.00 66.02 65.93 1yua s SER 46 CO 0.88 -0.38 1.87 0.54 0.41 0.00 0.00 173.24 176.55 1yua n ARG 47 N 4.56 1.74 -1.24 12.44 1.74 -1.17 -3.60 116.66 131.14 1yua n ARG 47 Ca 0.01 -1.51 -0.20 0.00 -0.77 0.00 0.00 57.85 55.38 1yua n ARG 47 Cb 0.40 -1.59 -0.09 0.00 -1.02 0.00 0.00 32.46 30.16 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 0.20 2.17 -3.92 5.56 1.02 -1.26 -4.90 120.64 119.51 1yua n GLU 48 Ca 0.29 -1.73 -0.36 0.00 -0.02 0.00 0.00 57.16 55.34 1yua n GLU 48 Cb 0.70 -2.01 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.03 5.30 0.00 2.62 -4.23 -1.25 -4.63 115.64 112.42 1yua s THR 49 Ca 0.58 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1yua s THR 49 Cb 0.34 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1yua s THR 49 CO -0.12 0.58 0.00 -1.14 -0.54 0.00 0.00 174.62 173.39 1yua n ARG 50 N 2.38 0.00 -1.52 3.99 0.63 -1.26 -4.90 116.66 115.98 1yua n ARG 50 Ca -0.19 0.00 -0.50 0.00 -0.92 0.00 0.00 57.85 56.24 1yua n ARG 50 Cb 0.54 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.41 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1yua n ALA 51 N -0.22 -1.79 -1.75 5.13 0.00 -1.26 -3.17 120.51 117.44 1yua n ALA 51 Ca 0.00 0.47 -0.40 0.00 0.00 0.00 0.00 53.44 53.51 1yua n ALA 51 Cb 0.00 -1.87 -0.05 0.00 0.00 0.00 0.00 19.45 17.53 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 -0.59 4.76 0.37 0.00 0.04 -1.26 -4.74 135.00 133.57 1yua s PRO 52 Ca 0.73 1.63 -0.28 0.00 0.04 0.00 0.00 61.00 63.11 1yua s PRO 52 Cb -0.93 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 30.26 1yua s PRO 52 CO 0.55 0.38 1.48 -0.11 0.04 0.00 0.00 177.00 179.34 1yua n LEU 53 N 1.35 4.64 -0.14 -3.56 -0.00 -1.26 -2.41 117.00 115.62 1yua n LEU 53 Ca -0.02 1.22 -0.06 0.00 -0.00 0.00 0.00 56.01 57.15 1yua n LEU 53 Cb 0.46 -1.61 0.02 0.00 -0.00 0.00 0.00 43.42 42.30 1yua n LEU 53 CO 0.52 0.10 1.02 0.58 -0.00 0.00 0.00 177.39 179.61 1yua h VAL 54 N 2.94 1.02 -0.23 1.96 2.07 -1.76 -0.09 116.25 122.16 1yua h VAL 54 Ca -0.50 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1yua h VAL 54 Cb 1.24 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1yua h VAL 54 CO 0.65 0.09 0.12 1.05 0.02 0.00 0.00 177.57 179.50 1yua h GLU 55 N 0.50 0.31 -0.16 1.57 4.11 -1.83 -0.16 114.58 118.92 1yua h GLU 55 Ca 0.18 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 59.47 1yua h GLU 55 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1yua h GLU 55 CO -0.10 0.23 -0.40 1.49 0.07 0.00 0.00 179.01 180.31 1yua h GLU 56 N 0.31 0.36 -0.65 1.06 4.81 -1.43 -1.06 114.58 117.98 1yua h GLU 56 Ca 0.08 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1yua h GLU 56 Cb 0.02 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1yua h GLU 56 CO -0.01 0.70 0.22 1.25 -0.73 0.00 0.00 179.01 180.44 1yua h LEU 57 N 0.30 0.91 -0.26 1.64 7.12 0.41 -1.86 115.31 123.57 1yua h LEU 57 Ca 0.03 -0.15 -0.20 0.00 0.13 0.00 0.00 57.88 57.69 1yua h LEU 57 Cb 0.84 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 1yua h LEU 57 CO 0.07 0.84 -0.89 0.22 -0.13 0.00 0.00 178.44 178.55 1yua h TYR 58 N 0.96 0.24 0.00 1.25 3.20 -1.11 -2.99 116.97 118.51 1yua h TYR 58 Ca 0.22 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1yua h TYR 58 Cb 0.25 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1yua h TYR 58 CO 0.02 0.97 -0.17 -0.09 -1.64 0.00 0.00 178.16 177.25 1yua h ARG 59 N 0.08 0.00 -0.57 1.82 2.43 -0.70 -2.46 114.38 114.98 1yua h ARG 59 Ca -0.04 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.78 1yua h ARG 59 Cb 1.54 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.88 1yua h ARG 59 CO 0.13 0.17 -0.01 1.19 -1.51 0.00 0.00 179.97 179.93 1yua n PHE 60 N -3.56 1.85 0.02 2.20 3.01 -0.74 -4.65 117.46 115.58 1yua n PHE 60 Ca -0.01 -1.94 -0.00 0.00 1.01 0.00 0.00 57.45 56.51 1yua n PHE 60 Cb 0.31 -0.64 0.29 0.00 -0.01 0.00 0.00 39.48 39.43 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 1.34 0.47 0.00 -1.08 2.43 -1.30 0.04 114.38 116.27 1yua h ARG 61 Ca 0.34 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1yua h ARG 61 Cb 1.64 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.13 1yua h ARG 61 CO 0.68 0.55 0.00 -3.47 -1.51 0.00 0.00 179.97 176.23 1yua n ASP 62 N -4.24 0.23 -0.00 -3.80 -0.08 -1.26 -1.62 116.55 105.77 1yua n ASP 62 Ca 0.01 0.60 0.01 0.00 -1.51 0.00 0.00 54.79 53.89 1yua n ASP 62 Cb 0.28 -0.63 -0.01 0.00 2.34 0.00 0.00 41.12 43.10 1yua n ASP 62 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1yua n ARG 63 N -1.80 3.13 -1.51 -0.67 0.63 -0.55 -4.98 116.66 110.90 1yua n ARG 63 Ca 0.00 -0.01 -0.46 0.00 -0.92 0.00 0.00 57.85 56.46 1yua n ARG 63 Cb 0.04 -0.81 -0.06 0.00 0.45 0.00 0.00 32.46 32.09 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 -1.30 2.49 0.00 6.15 0.00 -0.11 -4.86 117.00 119.37 1yua n LEU 64 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 56.01 56.25 1yua n LEU 64 Cb 0.03 -1.39 0.00 0.00 0.00 0.00 0.00 43.42 42.06 1yua n LEU 64 CO 0.03 -0.79 0.35 -2.65 0.00 0.00 0.00 177.39 174.32 1yua n PRO 65 N 8.49 0.00 0.00 1.96 -0.02 -1.26 -4.92 135.00 139.24 1yua n PRO 65 Ca 0.38 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1yua n PRO 65 Cb 0.33 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 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 -1.44 0.00 0.00 -0.52 2.13 -1.26 -4.95 120.64 114.60 1yua n GLU 66 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1yua n GLU 66 Cb 0.00 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.75 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 0.00 0.60 0.00 5.31 4.81 -1.26 -2.55 118.16 125.08 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 -1.04 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 1.17 0.00 0.00 177.40 179.85 1yua n LEU 68 N -0.54 0.27 0.10 3.14 4.32 -1.26 -4.86 117.00 118.18 1yua n LEU 68 Ca 0.01 -0.27 -0.13 0.00 -0.02 0.00 0.00 56.01 55.60 1yua n LEU 68 Cb 0.01 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.75 1yua n LEU 68 CO 0.01 0.07 0.65 -0.09 -1.22 0.00 0.00 177.39 176.81 1yua h ARG 69 N 0.00 -0.51 -0.98 3.23 1.12 -1.87 -0.27 114.38 115.10 1yua h ARG 69 Ca 0.00 0.03 0.31 0.00 -1.11 0.00 0.00 59.98 59.22 1yua h ARG 69 Cb 0.47 0.12 -0.15 0.00 -0.01 0.00 0.00 29.97 30.40 1yua h ARG 69 CO 0.00 -0.34 0.50 0.10 -3.11 0.00 0.00 179.97 177.12 1yua h TYR 70 N -0.53 0.80 -0.39 2.20 -0.00 -1.89 0.83 116.97 117.99 1yua h TYR 70 Ca 0.04 0.04 -0.04 0.00 -0.00 0.00 0.00 58.73 58.77 1yua h TYR 70 Cb 0.57 -0.19 -0.02 0.00 -0.00 0.00 0.00 36.73 37.09 1yua h TYR 70 CO -0.30 -0.21 0.10 -0.07 -0.00 0.00 0.00 178.16 177.68 1yua h LEU 71 N 0.28 0.59 0.00 0.10 3.38 -1.44 -0.85 115.31 117.37 1yua h LEU 71 Ca 0.71 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1yua h LEU 71 Cb 1.61 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1yua h LEU 71 CO -0.63 0.66 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1yua n ALA 72 N -2.34 2.18 0.08 1.53 0.00 0.26 -2.23 120.51 119.98 1yua n ALA 72 Ca -0.01 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1yua n ALA 72 Cb 0.20 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.12 0.42 -4.77 0.00 9.92 0.51 -4.56 116.55 116.94 1yua n ASP 73 Ca 0.13 0.13 -0.32 0.00 -0.53 0.00 0.00 54.79 54.20 1yua n ASP 73 Cb 0.11 1.24 0.07 0.00 -0.64 0.00 0.00 41.12 41.90 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 -3.43 2.39 1.08 2.24 0.00 -0.95 -4.98 121.76 118.10 1yua s ALA 74 Ca -0.04 0.36 -0.20 0.00 0.00 0.00 0.00 51.96 52.09 1yua s ALA 74 Cb 0.12 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 20.02 1yua s ALA 74 CO 0.85 -1.50 -0.25 -2.30 0.00 0.00 0.00 175.76 172.55 1yua n PRO 75 N -3.02 -1.43 -1.60 0.00 -0.02 -1.26 -4.88 135.00 122.79 1yua n PRO 75 Ca 0.09 -0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.20 1yua n PRO 75 Cb 0.53 -1.52 0.04 0.00 -0.02 0.00 0.00 33.50 32.53 1yua n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yua n GLN 76 N -1.13 0.46 0.00 -0.52 10.64 -1.26 -4.71 117.38 120.86 1yua n GLN 76 Ca 0.01 -2.38 0.00 0.00 -1.83 0.00 0.00 57.00 52.80 1yua n GLN 76 Cb 0.60 -0.43 0.00 0.00 -0.86 0.00 0.00 30.24 29.56 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 0.16 0.00 0.00 2.61 10.64 -1.26 -2.29 117.38 127.24 1yua n GLN 77 Ca 0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 1yua n GLN 77 Cb 1.05 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.43 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 0.00 0.20 2.61 5.75 -1.26 -3.24 116.55 120.61 1yua n ASP 78 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.82 1yua n ASP 78 Cb 0.00 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.33 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 -2.04 -2.41 132.00 127.77 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 -0.32 1.49 -0.21 0.00 0.00 178.00 178.96 1yua h GLU 80 N 0.00 0.00 0.00 1.05 4.57 -2.04 -3.49 114.58 114.67 1yua h GLU 80 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1yua h GLU 80 Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1yua h GLU 80 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 1yua n GLY 81 N 1.68 1.39 0.87 1.92 0.00 -0.91 -5.00 105.19 105.13 1yua n GLY 81 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 2.48 -1.76 1.61 3.02 -1.20 -5.00 115.26 114.42 1yua n ASN 82 Ca 0.00 -2.18 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 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 0.46 -4.97 -4.15 3.52 5.02 -1.25 -3.50 118.16 113.28 1yua n LYS 83 Ca 0.13 3.69 -0.16 0.00 -2.02 0.00 0.00 58.31 59.95 1yua n LYS 83 Cb 0.47 -4.16 -0.12 0.00 -0.02 0.00 0.00 35.03 31.19 1yua n LYS 83 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1yua s THR 84 N -3.41 0.71 0.56 -0.18 -1.32 -0.97 0.77 115.64 111.80 1yua s THR 84 Ca 0.00 -0.94 0.05 0.00 -1.21 0.00 0.00 61.69 59.59 1yua s THR 84 Cb 0.00 -0.71 0.05 0.00 -1.51 0.00 0.00 72.50 70.33 1yua s THR 84 CO 0.00 -0.19 0.38 0.00 -2.21 0.00 0.00 174.62 172.60 1yua s MET 85 N -1.25 2.23 -0.55 7.08 0.00 -0.98 -2.43 119.30 123.41 1yua s MET 85 Ca -0.04 -2.11 -0.18 0.00 0.00 0.00 0.00 55.69 53.35 1yua s MET 85 Cb -0.08 -2.03 0.09 0.00 0.00 0.00 0.00 34.83 32.81 1yua s MET 85 CO 0.01 -0.67 0.62 0.14 0.00 0.00 0.00 175.02 175.12 1yua s VAL 86 N -2.82 4.94 0.34 5.16 -7.23 -1.01 -2.18 120.40 117.60 1yua s VAL 86 Ca 0.29 -0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.50 1yua s VAL 86 Cb -0.02 -4.38 0.07 0.00 0.56 0.00 0.00 36.38 32.61 1yua s VAL 86 CO 0.18 -0.94 0.46 0.54 -0.31 0.00 0.00 175.10 175.03 1yua n ARG 87 N 6.00 0.06 -4.18 4.82 5.12 0.14 -4.48 116.66 124.14 1yua n ARG 87 Ca -0.10 -1.06 -0.17 0.00 -1.93 0.00 0.00 57.85 54.60 1yua n ARG 87 Cb 0.43 -0.36 -0.12 0.00 -1.16 0.00 0.00 32.46 31.24 1yua n ARG 87 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1yua s PHE 88 N -1.46 0.92 -0.06 -1.55 5.36 -1.26 -1.77 117.98 118.16 1yua s PHE 88 Ca 0.29 -0.39 0.04 0.00 -0.96 0.00 0.00 56.93 55.91 1yua s PHE 88 Cb -0.01 -0.54 0.00 0.00 -0.34 0.00 0.00 43.02 42.12 1yua s PHE 88 CO 0.19 -0.01 -0.17 -1.12 -1.46 0.00 0.00 175.22 172.65 1yua s SER 89 N -1.28 2.24 0.21 6.13 0.01 -0.70 -4.76 113.70 115.54 1yua s SER 89 Ca -0.03 -0.38 0.23 0.00 1.31 0.00 0.00 55.95 57.08 1yua s SER 89 Cb -0.08 -0.79 0.05 0.00 0.21 0.00 0.00 66.02 65.41 1yua s SER 89 CO 0.01 0.13 1.10 0.03 0.41 0.00 0.00 173.24 174.92 1yua h ARG 90 N 6.49 0.00 0.00 12.44 3.08 -1.95 0.00 114.38 134.44 1yua h ARG 90 Ca -0.30 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 1yua h ARG 90 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1yua h ARG 90 CO 0.48 0.00 -0.00 0.87 -1.07 0.00 0.00 179.97 180.24 1yua h LYS 91 N 0.00 0.00 0.00 0.04 1.57 -1.97 -3.08 116.57 113.13 1yua h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yua h LYS 91 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1yua h LYS 91 CO 0.00 0.00 -0.06 0.25 -0.57 0.00 0.00 179.45 179.07 1yua n THR 92 N -3.19 0.00 -4.06 -0.16 -2.24 -1.24 -5.01 114.28 98.38 1yua n THR 92 Ca -0.03 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 1yua n THR 92 Cb 0.08 0.67 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.21 -2.51 -0.78 5.02 -0.06 -4.93 118.16 112.68 1yua n LYS 93 Ca 0.00 0.29 -0.05 0.00 -2.02 0.00 0.00 58.31 56.52 1yua n LYS 93 Cb 0.52 -4.07 -0.02 0.00 -0.02 0.00 0.00 35.03 31.45 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 -4.49 0.93 -3.86 1.97 6.02 -0.90 -4.96 117.38 112.09 1yua n GLN 94 Ca -0.29 -0.73 -0.35 0.00 -0.01 0.00 0.00 57.00 55.61 1yua n GLN 94 Cb 0.68 0.38 -0.14 0.00 1.02 0.00 0.00 30.24 32.18 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 -2.33 3.45 -0.16 -1.09 -1.52 -1.26 -1.73 119.66 115.03 1yua s GLN 95 Ca 0.04 -0.58 -0.01 0.00 -1.95 0.00 0.00 55.36 52.85 1yua s GLN 95 Cb 0.00 -3.11 -0.01 0.00 -0.22 0.00 0.00 33.01 29.67 1yua s GLN 95 CO 0.03 -0.20 -0.10 1.52 -0.25 0.00 0.00 175.29 176.29 1yua s TYR 96 N 1.52 2.87 0.57 0.91 -0.85 -0.73 -1.13 117.35 120.50 1yua s TYR 96 Ca 0.06 -0.72 -0.06 0.00 -0.52 0.00 0.00 57.07 55.83 1yua s TYR 96 Cb -0.15 -1.92 -0.00 0.00 0.38 0.00 0.00 41.96 40.27 1yua s TYR 96 CO -0.01 -0.29 0.88 0.14 -1.52 0.00 0.00 175.55 174.74 1yua s VAL 97 N 0.65 4.02 -0.19 -3.49 -7.23 0.17 0.27 120.40 114.58 1yua s VAL 97 Ca -0.06 0.10 -0.06 0.00 -1.81 0.00 0.00 61.98 60.16 1yua s VAL 97 Cb -0.15 -3.58 0.09 0.00 0.56 0.00 0.00 36.38 33.30 1yua s VAL 97 CO 0.02 -0.60 0.39 -0.44 -0.31 0.00 0.00 175.10 174.17 1yua s SER 98 N -4.25 -0.08 -0.49 4.85 0.01 -0.92 0.43 113.70 113.25 1yua s SER 98 Ca 0.52 0.81 -0.27 0.00 1.31 0.00 0.00 55.95 58.33 1yua s SER 98 Cb -0.10 1.21 -0.05 0.00 0.21 0.00 0.00 66.02 67.29 1yua s SER 98 CO 0.46 -0.24 2.20 -0.44 0.41 0.00 0.00 173.24 175.62 1yua s SER 99 N 2.57 4.86 -0.06 2.44 0.01 0.17 -2.33 113.70 121.37 1yua s SER 99 Ca 0.01 0.97 0.02 0.00 1.31 0.00 0.00 55.95 58.26 1yua s SER 99 Cb -0.13 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.61 1yua s SER 99 CO -0.13 -2.58 -0.10 -0.70 0.41 0.00 0.00 173.24 170.15 1yua s GLU 100 N 7.56 1.41 -0.10 12.44 2.12 0.23 -0.98 118.70 141.39 1yua s GLU 100 Ca 0.88 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.89 1yua s GLU 100 Cb -0.18 -1.21 0.02 0.00 0.26 0.00 0.00 34.13 33.02 1yua s GLU 100 CO 0.26 0.00 -0.08 0.15 -0.54 0.00 0.00 175.26 175.05 1yua s LYS 101 N 0.71 1.50 0.00 4.30 1.02 -1.23 -4.58 119.74 121.46 1yua s LYS 101 Ca -0.13 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1yua s LYS 101 Cb -0.15 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.66 1yua s LYS 101 CO 0.03 -0.20 0.00 -3.47 -0.92 0.00 0.00 175.35 170.78 1yua n ASP 102 N 4.69 0.00 0.00 2.83 2.03 -1.26 -2.83 116.55 122.00 1yua n ASP 102 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1yua n ASP 102 Cb 0.50 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 -2.00 0.95 0.93 0.27 0.00 -1.26 -4.95 105.19 99.13 1yua n GLY 103 Ca 0.00 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.64 2.29 -3.08 1.61 2.85 -1.13 -5.02 118.16 114.03 1yua n LYS 104 Ca 0.00 -1.87 -0.00 0.00 -1.05 0.00 0.00 58.31 55.38 1yua n LYS 104 Cb 0.15 -1.47 -0.00 0.00 -0.65 0.00 0.00 35.03 33.06 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 1.26 -2.23 0.01 0.58 0.00 -1.26 -4.77 120.51 114.10 1yua n ALA 105 Ca 0.15 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.78 1yua n ALA 105 Cb 0.58 -0.70 0.43 0.00 0.00 0.00 0.00 19.45 19.76 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 3.64 1.10 0.00 0.00 1.35 -1.42 -3.46 112.91 114.13 1yua h THR 106 Ca -0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1yua h THR 106 Cb 0.73 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1yua h THR 106 CO 0.02 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1yua n GLY 107 N -1.46 2.06 3.69 5.82 0.00 -1.25 -5.07 105.19 108.99 1yua n GLY 107 Ca 0.03 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 45.02 1yua n GLY 107 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1yua n TRP 108 N 0.00 2.38 -3.41 1.61 -0.00 -1.26 -4.35 117.44 112.40 1yua n TRP 108 Ca 0.00 0.34 -0.17 0.00 -0.00 0.00 0.00 57.50 57.67 1yua n TRP 108 Cb 0.00 -2.52 -0.10 0.00 -0.00 0.00 0.00 31.31 28.69 1yua n TRP 108 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1yua s SER 109 N 0.50 1.51 0.51 5.87 1.04 -1.26 -0.66 113.70 121.22 1yua s SER 109 Ca 0.70 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 1yua s SER 109 Cb -0.61 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.04 1yua s SER 109 CO 0.46 -0.37 0.79 0.00 0.98 0.00 0.00 173.24 175.10 1yua s ALA 110 N 2.37 3.49 0.09 5.32 0.00 0.17 -0.92 121.76 132.28 1yua s ALA 110 Ca 0.09 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.31 1yua s ALA 110 Cb -0.14 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1yua s ALA 110 CO -0.27 -0.55 -0.15 -0.06 0.00 0.00 0.00 175.76 174.73 1yua s PHE 111 N -2.77 1.36 -0.48 0.00 0.40 -0.79 0.41 117.98 116.10 1yua s PHE 111 Ca 0.50 -0.49 -0.14 0.00 -0.60 0.00 0.00 56.93 56.20 1yua s PHE 111 Cb -0.10 -0.74 0.09 0.00 0.51 0.00 0.00 43.02 42.78 1yua s PHE 111 CO 0.42 0.11 0.39 -0.47 0.70 0.00 0.00 175.22 176.37 1yua s TYR 112 N -1.61 3.27 0.00 0.36 5.04 -0.29 0.55 117.35 124.68 1yua s TYR 112 Ca 0.03 -1.13 0.00 0.00 -2.44 0.00 0.00 57.07 53.53 1yua s TYR 112 Cb -0.08 -3.28 0.00 0.00 0.35 0.00 0.00 41.96 38.95 1yua s TYR 112 CO 0.03 -0.86 0.00 0.28 -1.34 0.00 0.00 175.55 173.66 1yua n VAL 113 N 5.16 0.00 -1.99 3.14 0.31 -0.77 -4.52 118.33 119.66 1yua n VAL 113 Ca -0.12 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.95 1yua n VAL 113 Cb 0.43 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.30 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 4.88 -0.92 4.52 2.15 -1.26 -2.88 116.67 122.17 1yua s ASP 114 Ca 0.00 -1.01 0.00 0.00 0.43 0.00 0.00 52.55 51.97 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 -3.10 0.00 0.61 -0.17 0.00 0.00 175.17 172.51 1yua n GLY 115 N 6.41 -0.02 2.58 2.66 0.00 -1.26 -4.82 105.19 110.73 1yua n GLY 115 Ca 0.43 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 -2.39 1.92 -0.78 1.61 5.02 -1.14 -5.10 118.16 117.31 1yua n LYS 116 Ca -0.11 -4.36 -0.34 0.00 -2.02 0.00 0.00 58.31 51.49 1yua n LYS 116 Cb 0.50 -2.13 0.13 0.00 -0.02 0.00 0.00 35.03 33.52 1yua n LYS 116 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1yua n TRP 117 N 1.46 -1.71 -3.90 2.13 7.02 -1.25 -1.84 117.44 119.35 1yua n TRP 117 Ca 0.25 0.23 -0.10 0.00 -1.02 0.00 0.00 57.50 56.86 1yua n TRP 117 Cb 0.40 -1.58 -0.06 0.00 -2.42 0.00 0.00 31.31 27.66 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 -2.22 0.05 -0.57 -0.99 -7.23 0.19 -4.71 120.40 104.92 1yua s VAL 118 Ca 0.52 -1.22 -0.05 0.00 -1.81 0.00 0.00 61.98 59.42 1yua s VAL 118 Cb -0.11 -1.78 0.15 0.00 0.56 0.00 0.00 36.38 35.20 1yua s VAL 118 CO 0.68 -0.24 0.41 -1.61 -0.31 0.00 0.00 175.10 174.02 1yua s GLU 119 N -3.94 2.53 0.15 4.82 2.02 -1.26 -1.89 118.70 121.13 1yua s GLU 119 Ca 0.15 -2.25 -0.26 0.00 0.02 0.00 0.00 54.97 52.62 1yua s GLU 119 Cb 0.02 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.46 1yua s GLU 119 CO -0.00 -1.17 1.58 0.78 0.02 0.00 0.00 175.26 176.47 1yua h GLY 120 N 7.54 -0.49 -4.34 -1.39 0.00 -1.35 -3.48 103.07 99.56 1yua h GLY 120 Ca -0.06 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1yua h GLY 120 CO 0.74 -0.20 -0.98 1.17 0.00 0.00 0.00 176.54 177.27 1yua n LYS 121 N -5.42 -4.07 0.00 4.80 3.00 -1.26 -4.93 118.16 110.28 1yua n LYS 121 Ca -0.01 3.08 0.00 0.00 -0.00 0.00 0.00 58.31 61.38 1yua n LYS 121 Cb 0.35 -4.07 0.00 0.00 0.00 0.00 0.00 35.03 31.31 1yua n LYS 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57