#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 3.89 0.00 7.83 3.02 -1.26 -4.97 115.26 123.77 1yua n ASN 2 Ca 0.00 -3.01 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1yua n ASN 2 Cb 0.00 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 1yua n ASN 2 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yua n GLY 3 N -0.43 1.28 3.76 7.41 0.00 -1.26 -5.04 105.19 110.92 1yua n GLY 3 Ca 0.37 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 1yua n GLY 3 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yua s GLU 4 N -1.23 3.71 -0.61 1.61 2.56 -1.26 -4.96 118.70 118.52 1yua s GLU 4 Ca 0.00 2.08 0.06 0.00 0.00 0.00 0.00 54.97 57.11 1yua s GLU 4 Cb 0.00 -2.55 0.27 0.00 2.00 0.00 0.00 34.13 33.86 1yua s GLU 4 CO 0.00 -0.68 0.78 1.55 -0.56 0.00 0.00 175.26 176.35 1yua n VAL 5 N -0.31 2.32 -3.10 3.70 3.14 -1.26 -4.93 118.33 117.88 1yua n VAL 5 Ca 0.06 -5.23 -0.20 0.00 -2.96 0.00 0.00 64.34 56.01 1yua n VAL 5 Cb 0.45 -1.88 0.02 0.00 -1.06 0.00 0.00 33.84 31.37 1yua n VAL 5 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yua n ALA 6 N 0.60 -2.74 -1.70 1.55 0.00 -1.26 -4.92 120.51 112.04 1yua n ALA 6 Ca 0.30 0.85 -0.34 0.00 0.00 0.00 0.00 53.44 54.25 1yua n ALA 6 Cb 0.42 -3.19 0.01 0.00 0.00 0.00 0.00 19.45 16.69 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 -2.58 3.32 1.08 0.00 0.04 -1.26 -5.00 135.00 130.60 1yua s PRO 7 Ca 0.29 1.42 -0.19 0.00 0.04 0.00 0.00 61.00 62.57 1yua s PRO 7 Cb -0.06 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1yua s PRO 7 CO 0.81 -0.84 -0.12 -2.30 0.04 0.00 0.00 177.00 174.59 1yua n PRO 8 N -1.64 -1.16 -1.53 0.56 -0.02 -1.26 -4.71 135.00 125.24 1yua n PRO 8 Ca 0.10 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1yua n PRO 8 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1yua n PRO 8 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1yua n LYS 9 N -1.39 -4.38 -3.17 -0.52 0.00 -1.26 -5.05 118.16 102.39 1yua n LYS 9 Ca 0.01 3.27 0.05 0.00 0.00 0.00 0.00 58.31 61.64 1yua n LYS 9 Cb 0.62 -3.69 -0.02 0.00 0.00 0.00 0.00 35.03 31.94 1yua n LYS 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1yua s GLU 10 N -3.93 0.23 -0.54 1.64 8.01 -1.26 -5.08 118.70 117.77 1yua s GLU 10 Ca 0.00 0.42 0.07 0.00 0.01 0.00 0.00 54.97 55.47 1yua s GLU 10 Cb 0.00 0.24 0.27 0.00 -4.31 0.00 0.00 34.13 30.33 1yua s GLU 10 CO 0.00 -0.23 0.72 -3.47 0.01 0.00 0.00 175.26 172.28 1yua n ASP 11 N 5.42 2.66 0.00 -0.19 2.03 -1.26 -4.97 116.55 120.23 1yua n ASP 11 Ca -0.07 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 52.00 1yua n ASP 11 Cb 0.53 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 0.78 0.00 -3.73 -0.67 -0.04 -1.26 -4.83 135.00 125.24 1yua n PRO 12 Ca 0.27 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.45 1yua n PRO 12 Cb 0.46 -0.07 -0.12 0.00 -0.04 0.00 0.00 33.50 33.73 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 0.00 1.92 0.14 0.52 1.01 -1.01 -5.05 120.40 117.93 1yua s VAL 13 Ca 0.00 -3.46 -0.31 0.00 0.00 0.00 0.00 61.98 58.21 1yua s VAL 13 Cb 0.00 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 1yua s VAL 13 CO 0.00 -1.03 1.32 -2.16 0.00 0.00 0.00 175.10 173.23 1yua s PRO 14 N -0.64 4.37 -0.49 2.72 0.04 -1.26 0.31 135.00 140.05 1yua s PRO 14 Ca 0.25 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.35 1yua s PRO 14 Cb -0.08 -3.24 0.40 0.00 0.04 0.00 0.00 34.50 31.62 1yua s PRO 14 CO -0.13 -0.32 1.13 1.28 0.04 0.00 0.00 177.00 178.99 1yua n LEU 15 N 3.36 4.82 -0.32 -3.56 4.77 -0.81 -4.83 117.00 120.44 1yua n LEU 15 Ca 0.09 -5.30 0.18 0.00 -0.03 0.00 0.00 56.01 50.95 1yua n LEU 15 Cb 0.43 -0.52 0.35 0.00 -2.33 0.00 0.00 43.42 41.35 1yua n LEU 15 CO 0.58 2.24 0.81 -2.65 -1.33 0.00 0.00 177.39 177.04 1yua n PRO 16 N -0.43 -0.07 -0.32 3.23 -0.02 -1.26 -0.04 135.00 136.08 1yua n PRO 16 Ca 0.38 1.37 0.13 0.00 -2.02 0.00 0.00 63.50 63.36 1yua n PRO 16 Cb 0.58 -2.25 0.27 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.04 -6.05 -0.52 4.22 -1.95 -3.36 114.58 106.96 1yua h GLU 17 Ca 0.63 -0.00 -0.56 0.00 0.08 0.00 0.00 59.36 59.50 1yua h GLU 17 Cb 1.42 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.60 1yua h GLU 17 CO -0.84 0.03 0.06 -1.17 -2.18 0.00 0.00 179.01 174.91 1yua s LEU 18 N -10.92 4.35 0.78 1.64 2.96 0.94 -5.05 118.68 113.38 1yua s LEU 18 Ca -0.13 1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 54.85 1yua s LEU 18 Cb 0.28 -3.04 0.06 0.00 0.50 0.00 0.00 46.19 43.99 1yua s LEU 18 CO 0.77 -0.05 1.08 -2.16 -1.32 0.00 0.00 176.35 174.67 1yua s PRO 19 N 0.52 2.22 0.00 0.98 0.04 -1.26 -2.71 135.00 134.79 1yua s PRO 19 Ca 0.36 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1yua s PRO 19 Cb -0.18 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1yua s PRO 19 CO 0.18 -1.58 0.00 0.00 0.04 0.00 0.00 177.00 175.64 1yua n GLU 21 N -1.36 2.73 -1.90 0.00 2.13 -1.26 -4.81 120.64 116.16 1yua n GLU 21 Ca 0.00 -3.38 -0.16 0.00 0.66 0.00 0.00 57.16 54.28 1yua n GLU 21 Cb 0.00 -2.28 -0.04 0.00 0.27 0.00 0.00 31.44 29.38 1yua n GLU 21 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1yua n LYS 22 N -0.81 -1.63 0.00 5.31 5.02 -1.26 -4.90 118.16 119.88 1yua n LYS 22 Ca 0.60 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.78 1yua n LYS 22 Cb 0.55 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 1yua n LYS 22 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1yua n SER 23 N -1.33 1.04 0.00 4.39 2.88 -1.26 -4.98 113.62 114.36 1yua n SER 23 Ca -0.18 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.47 1yua n SER 23 Cb 0.59 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.61 1yua n SER 23 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1yua n ASP 24 N 0.00 0.00 -4.85 -3.46 9.92 -1.26 -4.64 116.55 112.26 1yua n ASP 24 Ca 0.00 -0.18 -0.31 0.00 -0.53 0.00 0.00 54.79 53.77 1yua n ASP 24 Cb 0.00 -0.22 0.02 0.00 -0.64 0.00 0.00 41.12 40.28 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 -2.43 2.94 0.00 2.24 0.00 -1.26 -4.97 121.76 118.28 1yua s ALA 25 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1yua s ALA 25 Cb 0.15 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1yua s ALA 25 CO 0.31 -0.86 0.00 2.48 0.00 0.00 0.00 175.76 177.69 1yua n TYR 26 N -2.80 0.00 -3.68 0.00 4.11 -1.26 -1.56 117.16 111.96 1yua n TYR 26 Ca 0.07 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.59 1yua n TYR 26 Cb 0.54 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.79 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 -1.75 3.46 -0.93 -3.48 0.08 -1.10 -1.97 117.98 112.30 1yua s PHE 27 Ca 0.00 -2.56 -0.24 0.00 0.12 0.00 0.00 56.93 54.25 1yua s PHE 27 Cb 0.00 -3.28 0.05 0.00 -0.57 0.00 0.00 43.02 39.22 1yua s PHE 27 CO 0.00 -0.88 1.38 0.08 -0.10 0.00 0.00 175.22 175.70 1yua s VAL 28 N 0.20 3.92 0.01 -0.44 1.01 -0.70 -1.92 120.40 122.48 1yua s VAL 28 Ca 0.15 -0.49 -0.38 0.00 0.00 0.00 0.00 61.98 61.26 1yua s VAL 28 Cb -0.20 -5.00 -0.17 0.00 0.00 0.00 0.00 36.38 31.01 1yua s VAL 28 CO -0.04 -1.89 1.36 -0.11 0.00 0.00 0.00 175.10 174.42 1yua n LEU 29 N 8.87 1.46 0.00 3.92 7.94 0.15 -3.58 117.00 135.75 1yua n LEU 29 Ca 0.24 1.12 -0.15 0.00 -1.11 0.00 0.00 56.01 56.11 1yua n LEU 29 Cb 0.50 -1.13 -0.04 0.00 0.53 0.00 0.00 43.42 43.28 1yua n LEU 29 CO 0.66 -1.10 -0.10 0.54 -1.11 0.00 0.00 177.39 176.28 1yua n ARG 30 N 2.77 0.91 -3.45 1.96 1.74 -0.42 -2.40 116.66 117.76 1yua n ARG 30 Ca 0.20 -1.94 -0.22 0.00 -0.77 0.00 0.00 57.85 55.13 1yua n ARG 30 Cb 0.16 0.89 -0.12 0.00 -1.02 0.00 0.00 32.46 32.38 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 -2.42 2.38 0.00 0.55 -4.77 -1.26 -2.22 116.67 108.93 1yua s ASP 31 Ca 0.08 -1.00 0.00 0.00 -3.30 0.00 0.00 52.55 48.33 1yua s ASP 31 Cb 0.00 0.17 0.00 0.00 -1.09 0.00 0.00 42.92 42.01 1yua s ASP 31 CO 0.06 -0.40 0.00 0.61 0.70 0.00 0.00 175.17 176.13 1yua n GLY 32 N 5.24 0.00 3.57 2.12 0.00 -0.77 -4.95 105.19 110.41 1yua n GLY 32 Ca -0.03 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.29 2.31 -1.33 4.61 0.00 -1.26 -4.13 121.76 121.67 1yua s ALA 33 Ca 0.00 -2.24 -0.06 0.00 0.00 0.00 0.00 51.96 49.66 1yua s ALA 33 Cb 0.00 -4.62 -0.00 0.00 0.00 0.00 0.00 23.12 18.50 1yua s ALA 33 CO 0.00 -4.39 0.53 0.00 0.00 0.00 0.00 175.76 171.90 1yua n ALA 34 N 11.87 -2.16 0.00 0.00 0.00 -1.26 -4.56 120.51 124.39 1yua n ALA 34 Ca 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1yua n ALA 34 Cb 0.47 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.90 -0.98 3.90 0.00 0.00 -1.26 -4.72 105.19 100.23 1yua n GLY 35 Ca -0.25 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.37 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 3.48 0.00 1.61 -7.23 -1.26 -1.84 120.40 115.16 1yua s VAL 36 Ca 0.00 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.37 1yua s VAL 36 Cb 0.00 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.51 1yua s VAL 36 CO 0.00 -0.51 0.00 2.22 -0.31 0.00 0.00 175.10 176.50 1yua n PHE 37 N -2.80 -0.05 -3.71 2.82 -1.74 -0.94 -4.30 117.46 106.73 1yua n PHE 37 Ca 0.06 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.67 1yua n PHE 37 Cb 0.58 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.42 1yua n PHE 37 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1yua s LEU 38 N 0.00 1.29 0.16 5.98 1.02 -0.50 -1.30 118.68 125.32 1yua s LEU 38 Ca 0.00 -1.03 -0.03 0.00 0.02 0.00 0.00 54.13 53.09 1yua s LEU 38 Cb 0.00 -0.61 -0.05 0.00 0.02 0.00 0.00 46.19 45.55 1yua s LEU 38 CO 0.00 -0.34 0.37 0.00 0.02 0.00 0.00 176.35 176.40 1yua s ALA 39 N 1.85 3.81 0.31 4.21 0.00 -1.24 -3.96 121.76 126.75 1yua s ALA 39 Ca 0.02 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 1yua s ALA 39 Cb -0.17 -2.08 -0.10 0.00 0.00 0.00 0.00 23.12 20.78 1yua s ALA 39 CO -0.15 0.61 1.14 0.00 0.00 0.00 0.00 175.76 177.36 1yua s ALA 40 N -1.72 3.38 0.38 0.00 0.00 -1.20 -1.71 121.76 120.88 1yua s ALA 40 Ca 0.40 0.96 0.10 0.00 0.00 0.00 0.00 51.96 53.42 1yua s ALA 40 Cb -0.12 -3.36 0.74 0.00 0.00 0.00 0.00 23.12 20.39 1yua s ALA 40 CO 0.26 -0.29 1.87 -2.95 0.00 0.00 0.00 175.76 174.65 1yua h ASN 41 N 3.53 0.16 0.00 0.00 -1.07 -1.71 -1.50 115.58 115.00 1yua h ASN 41 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 56.30 55.85 1yua h ASN 41 Cb 1.22 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 1yua h ASN 41 CO 0.66 0.40 0.00 0.35 0.07 0.00 0.00 177.43 178.91 1yua n THR 42 N -4.21 0.00 -1.08 6.14 -2.24 -1.26 -4.89 114.28 106.74 1yua n THR 42 Ca -0.01 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 1yua n THR 42 Cb 0.33 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.96 -1.21 1.73 4.78 -0.00 -0.57 -0.58 117.46 120.65 1yua n PHE 43 Ca 0.17 0.61 0.11 0.00 -0.00 0.00 0.00 57.45 58.35 1yua n PHE 43 Cb 0.08 -1.50 0.66 0.00 -0.00 0.00 0.00 39.48 38.72 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 0.98 0.87 0.00 -7.13 -0.04 -1.26 -4.89 135.00 123.53 1yua n PRO 44 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1yua n PRO 44 Cb 0.28 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.90 0.00 -3.28 0.54 4.81 0.25 -3.26 118.16 116.31 1yua n LYS 45 Ca 0.17 0.94 -0.46 0.00 -0.87 0.00 0.00 58.31 58.09 1yua n LYS 45 Cb 0.08 -1.42 -0.05 0.00 0.02 0.00 0.00 35.03 33.66 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 -3.00 6.24 -0.35 3.14 1.04 -1.26 -4.92 113.70 114.60 1yua s SER 46 Ca 0.00 -1.82 -0.02 0.00 0.48 0.00 0.00 55.95 54.59 1yua s SER 46 Cb 0.00 -2.22 0.14 0.00 0.10 0.00 0.00 66.02 64.03 1yua s SER 46 CO 0.00 -0.87 2.35 0.54 0.98 0.00 0.00 173.24 176.24 1yua n ARG 47 N 5.30 2.01 -1.87 4.02 1.74 -1.20 -3.24 116.66 123.42 1yua n ARG 47 Ca -0.11 -1.79 -0.41 0.00 -0.77 0.00 0.00 57.85 54.77 1yua n ARG 47 Cb 0.41 -1.81 -0.01 0.00 -1.02 0.00 0.00 32.46 30.04 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 0.63 3.86 -3.34 5.56 1.02 -1.26 -4.95 120.64 122.16 1yua n GLU 48 Ca 0.37 -3.03 -0.35 0.00 -0.02 0.00 0.00 57.16 54.13 1yua n GLU 48 Cb 0.58 -2.85 -0.06 0.00 -0.02 0.00 0.00 31.44 29.10 1yua n GLU 48 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1yua s THR 49 N 0.74 4.84 0.00 2.62 -4.23 -1.25 -4.55 115.64 113.80 1yua s THR 49 Ca 0.53 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.86 1yua s THR 49 Cb 0.15 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1yua s THR 49 CO -0.06 0.18 0.00 -1.14 -0.54 0.00 0.00 174.62 173.06 1yua n ARG 50 N 0.63 0.00 -2.09 3.99 0.63 -1.25 -4.91 116.66 113.65 1yua n ARG 50 Ca -0.04 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.51 1yua n ARG 50 Cb 0.52 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.43 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1yua s ALA 51 N -2.00 2.97 0.18 5.13 0.00 -1.26 -1.42 121.76 125.36 1yua s ALA 51 Ca 0.00 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 1yua s ALA 51 Cb 0.00 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 1yua s ALA 51 CO 0.00 -0.89 0.91 -1.25 0.00 0.00 0.00 175.76 174.54 1yua s PRO 52 N -2.69 4.75 0.40 0.00 0.04 -1.26 -4.53 135.00 131.70 1yua s PRO 52 Ca 0.65 1.40 -0.23 0.00 0.04 0.00 0.00 61.00 62.87 1yua s PRO 52 Cb -0.33 -3.31 -0.14 0.00 0.04 0.00 0.00 34.50 30.76 1yua s PRO 52 CO 0.40 0.43 0.45 -0.11 0.04 0.00 0.00 177.00 178.21 1yua n LEU 53 N 1.93 -0.74 -0.28 -3.56 -0.00 -1.26 -2.46 117.00 110.63 1yua n LEU 53 Ca -0.01 0.91 -0.06 0.00 -0.00 0.00 0.00 56.01 56.84 1yua n LEU 53 Cb 0.48 -1.05 0.06 0.00 -0.00 0.00 0.00 43.42 42.91 1yua n LEU 53 CO 0.50 -3.17 1.04 0.58 -0.00 0.00 0.00 177.39 176.34 1yua h VAL 54 N 0.73 1.26 0.00 1.96 2.07 -1.61 -1.01 116.25 119.65 1yua h VAL 54 Ca -0.39 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 1yua h VAL 54 Cb 1.41 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1yua h VAL 54 CO 0.51 0.33 -0.26 1.05 0.02 0.00 0.00 177.57 179.22 1yua h GLU 55 N 1.12 0.00 -0.28 1.57 4.11 -1.81 -2.44 114.58 116.84 1yua h GLU 55 Ca 0.26 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.50 1yua h GLU 55 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1yua h GLU 55 CO -0.02 0.26 -0.54 0.93 0.07 0.00 0.00 179.01 179.72 1yua h GLU 56 N 0.00 0.85 -0.83 1.06 5.08 -1.55 -0.95 114.58 118.25 1yua h GLU 56 Ca -0.00 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1yua h GLU 56 Cb 0.60 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1yua h GLU 56 CO 0.03 1.18 0.51 1.25 -1.00 0.00 0.00 179.01 180.99 1yua h LEU 57 N 0.63 0.98 -0.48 1.33 7.12 -0.81 -1.65 115.31 122.43 1yua h LEU 57 Ca 0.01 -0.05 -0.17 0.00 0.13 0.00 0.00 57.88 57.80 1yua h LEU 57 Cb 1.15 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.02 1yua h LEU 57 CO 0.12 0.74 -0.71 0.22 -0.13 0.00 0.00 178.44 178.68 1yua h TYR 58 N 1.13 0.38 0.00 1.25 3.20 -1.30 -2.70 116.97 118.94 1yua h TYR 58 Ca 0.30 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1yua h TYR 58 Cb -0.07 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1yua h TYR 58 CO 0.00 0.90 -0.14 -0.09 -1.64 0.00 0.00 178.16 177.19 1yua h ARG 59 N 0.19 0.00 -0.53 1.82 2.43 -0.28 -2.47 114.38 115.54 1yua h ARG 59 Ca -0.02 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.79 1yua h ARG 59 Cb 1.27 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.58 1yua h ARG 59 CO 0.11 0.14 -0.27 1.19 -1.51 0.00 0.00 179.97 179.63 1yua n PHE 60 N -3.58 1.82 0.12 2.20 3.01 -0.76 -4.69 117.46 115.58 1yua n PHE 60 Ca -0.01 -2.00 0.02 0.00 1.01 0.00 0.00 57.45 56.46 1yua n PHE 60 Cb 0.27 -0.54 0.37 0.00 -0.01 0.00 0.00 39.48 39.58 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 1.54 0.22 0.00 -1.08 9.65 -1.13 -1.21 114.38 122.37 1yua h ARG 61 Ca 0.30 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 1yua h ARG 61 Cb 1.43 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 1yua h ARG 61 CO 0.63 0.40 0.00 -0.25 2.80 0.00 0.00 179.97 183.55 1yua n ASP 62 N -4.24 0.22 -0.00 -3.80 8.00 -1.26 -1.54 116.55 113.93 1yua n ASP 62 Ca -0.01 0.59 0.02 0.00 0.71 0.00 0.00 54.79 56.10 1yua n ASP 62 Cb 0.30 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 1yua n ASP 62 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1yua n ARG 63 N -1.79 1.45 -1.45 -1.24 0.63 -0.58 -4.98 116.66 108.70 1yua n ARG 63 Ca 0.00 -0.03 -0.47 0.00 -0.92 0.00 0.00 57.85 56.43 1yua n ARG 63 Cb 0.04 -0.99 -0.08 0.00 0.45 0.00 0.00 32.46 31.88 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 -1.50 1.65 0.00 6.15 0.00 -0.56 -4.84 117.00 117.90 1yua n LEU 64 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 56.01 56.24 1yua n LEU 64 Cb 0.09 -1.21 0.00 0.00 0.00 0.00 0.00 43.42 42.29 1yua n LEU 64 CO 0.08 -0.88 0.41 -2.65 0.00 0.00 0.00 177.39 174.34 1yua n PRO 65 N 8.33 0.00 0.00 1.96 -0.02 -1.26 -4.92 135.00 139.09 1yua n PRO 65 Ca 0.47 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1yua n PRO 65 Cb 0.22 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1yua n PRO 65 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1yua n GLU 66 N -1.80 0.00 0.00 -0.52 2.13 -1.26 -4.95 120.64 114.24 1yua n GLU 66 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1yua n GLU 66 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.81 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 0.54 0.00 5.31 2.85 -1.26 -2.56 118.16 123.05 1yua n LYS 67 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1yua n LYS 67 Cb 0.00 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1yua n LEU 68 N -0.60 0.04 0.15 -5.58 4.32 -1.26 -4.89 117.00 109.18 1yua n LEU 68 Ca 0.03 -0.04 -0.14 0.00 -0.02 0.00 0.00 56.01 55.83 1yua n LEU 68 Cb 0.01 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.74 1yua n LEU 68 CO 0.02 0.01 0.61 0.03 -1.22 0.00 0.00 177.39 176.84 1yua h ARG 69 N 0.00 -0.63 -1.04 3.23 2.47 -1.86 -0.20 114.38 116.35 1yua h ARG 69 Ca 0.00 0.04 0.27 0.00 -1.26 0.00 0.00 59.98 59.03 1yua h ARG 69 Cb 0.80 0.14 -0.10 0.00 -1.65 0.00 0.00 29.97 29.16 1yua h ARG 69 CO 0.00 -0.42 0.66 0.10 0.56 0.00 0.00 179.97 180.87 1yua h TYR 70 N -0.65 0.73 -0.19 3.04 -0.00 -1.90 0.31 116.97 118.31 1yua h TYR 70 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.76 1yua h TYR 70 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 36.73 37.16 1yua h TYR 70 CO -0.30 0.05 0.09 -0.07 -0.00 0.00 0.00 178.16 177.93 1yua h LEU 71 N 0.42 0.25 0.00 0.10 3.38 -1.42 -0.64 115.31 117.40 1yua h LEU 71 Ca 0.62 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1yua h LEU 71 Cb 1.50 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1yua h LEU 71 CO -0.34 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1yua n ALA 72 N -2.21 2.07 0.41 1.53 0.00 0.83 -2.29 120.51 120.85 1yua n ALA 72 Ca -0.04 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1yua n ALA 72 Cb 0.10 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.29 0.54 -4.81 0.00 8.00 0.23 -4.51 116.55 114.71 1yua n ASP 73 Ca 0.10 -0.14 -0.31 0.00 0.71 0.00 0.00 54.79 55.14 1yua n ASP 73 Cb 0.17 1.02 0.06 0.00 -0.02 0.00 0.00 41.12 42.35 1yua n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yua s ALA 74 N -3.28 2.53 1.01 2.24 0.00 -0.65 -4.99 121.76 118.62 1yua s ALA 74 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 1yua s ALA 74 Cb 0.14 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 20.11 1yua s ALA 74 CO 0.83 -1.40 0.02 -2.30 0.00 0.00 0.00 175.76 172.91 1yua n PRO 75 N -3.24 -0.58 -2.77 0.00 -0.02 -1.26 -4.88 135.00 122.25 1yua n PRO 75 Ca 0.07 -0.14 -0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1yua n PRO 75 Cb 0.54 -1.65 0.06 0.00 -0.02 0.00 0.00 33.50 32.43 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 -0.99 1.62 0.00 -0.52 10.64 -1.26 -4.69 117.38 122.18 1yua n GLN 76 Ca 0.03 -3.21 0.00 0.00 -1.83 0.00 0.00 57.00 51.99 1yua n GLN 76 Cb 0.57 -1.34 0.00 0.00 -0.86 0.00 0.00 30.24 28.62 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 -0.65 0.00 -0.13 2.61 10.64 -1.26 -2.22 117.38 126.37 1yua n GLN 77 Ca 0.04 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.23 1yua n GLN 77 Cb 0.82 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 30.19 1yua n GLN 77 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1yua n ASP 78 N 0.00 -0.75 0.13 2.61 2.03 -1.26 -2.21 116.55 117.10 1yua n ASP 78 Ca 0.00 0.12 0.07 0.00 0.52 0.00 0.00 54.79 55.49 1yua n ASP 78 Cb 0.00 -0.44 0.35 0.00 -0.72 0.00 0.00 41.12 40.31 1yua n ASP 78 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1yua n PRO 79 N -2.42 0.09 -0.07 -0.67 -0.02 -1.26 -2.46 135.00 128.19 1yua n PRO 79 Ca -0.01 0.55 -0.04 0.00 -2.02 0.00 0.00 63.50 61.98 1yua n PRO 79 Cb 0.06 -1.97 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1yua n PRO 79 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1yua h GLU 80 N 0.00 0.00 0.00 -0.52 4.57 -2.04 -3.49 114.58 113.10 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 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 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 1.64 1.42 0.86 1.92 0.00 -1.03 -5.00 105.19 105.00 1yua n GLY 81 Ca -0.06 0.00 0.04 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 2.40 -1.79 1.61 3.02 -0.94 -5.00 115.26 114.57 1yua n ASN 82 Ca 0.00 -2.22 0.00 0.00 -0.03 0.00 0.00 54.58 52.33 1yua n ASN 82 Cb 0.00 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.31 -5.09 -4.06 3.52 5.02 -1.24 -3.16 118.16 113.46 1yua n LYS 83 Ca 0.11 3.77 -0.22 0.00 -2.02 0.00 0.00 58.31 59.94 1yua n LYS 83 Cb 0.48 -4.22 -0.17 0.00 -0.02 0.00 0.00 35.03 31.10 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 -3.26 0.61 0.43 -0.18 2.01 -0.94 -1.09 115.64 113.23 1yua s THR 84 Ca 0.00 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 61.97 1yua s THR 84 Cb 0.00 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1yua s THR 84 CO 0.00 0.27 0.43 0.00 -0.69 0.00 0.00 174.62 174.62 1yua s MET 85 N 1.28 2.54 0.49 4.92 0.23 -1.02 -1.74 119.30 126.00 1yua s MET 85 Ca -0.05 -1.54 -0.12 0.00 -1.03 0.00 0.00 55.69 52.95 1yua s MET 85 Cb -0.14 -2.42 -0.06 0.00 -1.53 0.00 0.00 34.83 30.68 1yua s MET 85 CO -0.02 -0.27 0.90 0.08 -2.03 0.00 0.00 175.02 173.68 1yua s VAL 86 N -2.49 4.70 0.06 5.16 1.01 -1.03 -1.25 120.40 126.56 1yua s VAL 86 Ca 0.49 0.83 0.01 0.00 0.00 0.00 0.00 61.98 63.31 1yua s VAL 86 Cb -0.04 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1yua s VAL 86 CO 0.29 -0.74 0.06 0.54 0.00 0.00 0.00 175.10 175.24 1yua n ARG 87 N -1.79 0.08 -3.43 2.72 5.12 0.18 -4.31 116.66 115.24 1yua n ARG 87 Ca 0.04 -0.56 -0.18 0.00 -1.93 0.00 0.00 57.85 55.22 1yua n ARG 87 Cb 0.54 0.48 -0.11 0.00 -1.16 0.00 0.00 32.46 32.21 1yua n ARG 87 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1yua s PHE 88 N -2.73 -0.40 0.16 -1.55 5.36 -1.26 -2.35 117.98 115.20 1yua s PHE 88 Ca 0.07 -0.06 -0.29 0.00 -0.96 0.00 0.00 56.93 55.69 1yua s PHE 88 Cb 0.00 -0.43 -0.07 0.00 -0.34 0.00 0.00 43.02 42.18 1yua s PHE 88 CO 0.05 -0.83 0.92 -1.12 -1.46 0.00 0.00 175.22 172.78 1yua s SER 89 N 2.35 7.52 0.17 6.13 0.01 -1.12 -4.89 113.70 123.87 1yua s SER 89 Ca 0.09 1.81 0.20 0.00 1.31 0.00 0.00 55.95 59.36 1yua s SER 89 Cb -0.15 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 1yua s SER 89 CO -0.27 0.05 1.02 0.03 0.41 0.00 0.00 173.24 174.47 1yua h ARG 90 N 4.95 0.00 -0.21 12.44 3.08 -1.95 0.24 114.38 132.93 1yua h ARG 90 Ca -0.44 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.67 1yua h ARG 90 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1yua h ARG 90 CO 0.70 0.12 0.30 0.87 -1.07 0.00 0.00 179.97 180.89 1yua h LYS 91 N 0.00 0.00 0.00 0.04 6.56 -1.99 -2.69 116.57 118.49 1yua h LYS 91 Ca -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1yua h LYS 91 Cb 1.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1yua h LYS 91 CO 0.02 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.66 1yua n THR 92 N -3.52 0.00 -3.83 -0.16 -2.24 -1.24 -5.04 114.28 98.25 1yua n THR 92 Ca 0.02 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 1yua n THR 92 Cb 0.42 1.22 0.02 0.00 -2.10 0.00 0.00 70.33 69.89 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 -0.93 -2.32 -0.78 5.02 0.04 -4.95 118.16 114.24 1yua n LYS 93 Ca 0.00 0.46 -0.03 0.00 -2.02 0.00 0.00 58.31 56.72 1yua n LYS 93 Cb 0.44 -3.03 -0.01 0.00 -0.02 0.00 0.00 35.03 32.40 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 -3.91 0.07 -3.78 1.97 6.02 -0.97 -4.99 117.38 111.80 1yua n GLN 94 Ca -0.16 -0.54 -0.36 0.00 -0.01 0.00 0.00 57.00 55.93 1yua n GLN 94 Cb 0.60 0.45 -0.11 0.00 1.02 0.00 0.00 30.24 32.20 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 -2.21 3.85 -0.08 -1.09 -1.52 -1.26 -2.81 119.66 114.55 1yua s GLN 95 Ca 0.06 -0.38 0.01 0.00 -1.95 0.00 0.00 55.36 53.10 1yua s GLN 95 Cb 0.00 -3.39 0.02 0.00 -0.22 0.00 0.00 33.01 29.42 1yua s GLN 95 CO 0.04 -0.03 -0.09 1.52 -0.25 0.00 0.00 175.29 176.48 1yua s TYR 96 N 1.25 1.31 0.48 0.91 -0.85 -0.99 -1.81 117.35 117.65 1yua s TYR 96 Ca 0.06 -0.52 -0.04 0.00 -0.52 0.00 0.00 57.07 56.05 1yua s TYR 96 Cb -0.14 -1.03 -0.02 0.00 0.38 0.00 0.00 41.96 41.14 1yua s TYR 96 CO 0.05 -0.33 0.75 0.14 -1.52 0.00 0.00 175.55 174.64 1yua s VAL 97 N 1.06 4.53 -0.17 -3.49 -7.23 -0.00 0.47 120.40 115.56 1yua s VAL 97 Ca -0.08 -0.06 -0.08 0.00 -1.81 0.00 0.00 61.98 59.95 1yua s VAL 97 Cb -0.14 -3.72 0.07 0.00 0.56 0.00 0.00 36.38 33.15 1yua s VAL 97 CO -0.01 -0.64 0.39 -0.55 -0.31 0.00 0.00 175.10 173.98 1yua s SER 98 N -4.15 -0.36 0.02 4.85 0.15 -0.38 0.22 113.70 114.04 1yua s SER 98 Ca 0.48 0.88 -0.30 0.00 0.70 0.00 0.00 55.95 57.70 1yua s SER 98 Cb -0.10 0.91 -0.06 0.00 -1.71 0.00 0.00 66.02 65.06 1yua s SER 98 CO 0.42 -0.21 1.38 -0.44 1.20 0.00 0.00 173.24 175.59 1yua s SER 99 N 1.81 6.87 -0.05 5.45 0.01 -0.34 -2.44 113.70 125.02 1yua s SER 99 Ca -0.07 2.13 -0.02 0.00 1.31 0.00 0.00 55.95 59.30 1yua s SER 99 Cb -0.10 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.60 1yua s SER 99 CO -0.12 -0.68 0.05 -0.70 0.41 0.00 0.00 173.24 172.19 1yua s GLU 100 N 2.09 0.06 0.00 12.44 2.12 -0.25 -3.56 118.70 131.61 1yua s GLU 100 Ca 0.63 0.31 0.00 0.00 0.36 0.00 0.00 54.97 56.27 1yua s GLU 100 Cb -0.32 -0.64 0.00 0.00 0.26 0.00 0.00 34.13 33.44 1yua s GLU 100 CO 0.27 -0.33 0.00 1.63 -0.54 0.00 0.00 175.26 176.29 1yua n LYS 101 N 5.27 -1.16 0.00 4.30 5.02 -1.24 -4.67 118.16 125.67 1yua n LYS 101 Ca -0.04 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.32 1yua n LYS 101 Cb 0.50 0.00 0.38 0.00 -0.02 0.00 0.00 35.03 35.89 1yua n LYS 101 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1yua n ASP 102 N -2.50 0.00 0.00 4.39 8.00 -1.26 -4.27 116.55 120.92 1yua n ASP 102 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1yua n ASP 102 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1yua n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yua n GLY 103 N -0.03 0.00 0.00 0.44 0.00 -1.26 -5.02 105.19 99.33 1yua n GLY 103 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1yua n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yua n LYS 104 N 0.00 5.37 -3.63 1.61 3.00 -1.26 -5.05 118.16 118.20 1yua n LYS 104 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 1yua n LYS 104 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 35.03 34.58 1yua n LYS 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yua n ALA 105 N -0.86 -2.72 -0.01 3.14 0.00 -1.26 -4.84 120.51 113.97 1yua n ALA 105 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1yua n ALA 105 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1yua n ALA 105 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yua n THR 106 N -2.23 0.00 0.00 0.00 -2.24 -1.24 -4.89 114.28 103.68 1yua n THR 106 Ca -0.24 1.50 0.00 0.00 -2.27 0.00 0.00 64.05 63.04 1yua n THR 106 Cb 0.66 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 1yua n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yua n GLY 107 N -1.00 0.65 3.67 3.38 0.00 -1.23 -5.02 105.19 105.64 1yua n GLY 107 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1yua n GLY 107 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1yua n TRP 108 N 0.00 2.02 -3.21 1.61 -0.00 -1.26 -3.91 117.44 112.70 1yua n TRP 108 Ca 0.00 0.57 -0.01 0.00 -0.00 0.00 0.00 57.50 58.06 1yua n TRP 108 Cb 0.00 -2.38 -0.02 0.00 -0.00 0.00 0.00 31.31 28.90 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 -0.25 -0.96 0.35 5.87 1.04 -1.26 -1.20 113.70 117.29 1yua s SER 109 Ca 0.59 -0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.76 1yua s SER 109 Cb -0.62 1.72 -0.06 0.00 0.10 0.00 0.00 66.02 67.16 1yua s SER 109 CO 0.59 -0.29 0.66 0.00 0.98 0.00 0.00 173.24 175.18 1yua s ALA 110 N 2.55 3.49 -0.01 5.32 0.00 0.13 -1.98 121.76 131.26 1yua s ALA 110 Ca 0.11 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 51.74 1yua s ALA 110 Cb -0.10 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1yua s ALA 110 CO -0.24 0.09 -0.22 -0.06 0.00 0.00 0.00 175.76 175.33 1yua s PHE 111 N -2.25 2.00 -0.56 0.00 0.40 -0.78 -0.82 117.98 115.97 1yua s PHE 111 Ca 0.47 -0.38 -0.22 0.00 -0.60 0.00 0.00 56.93 56.20 1yua s PHE 111 Cb -0.10 -1.28 0.05 0.00 0.51 0.00 0.00 43.02 42.20 1yua s PHE 111 CO 0.31 -0.03 0.84 -0.47 0.70 0.00 0.00 175.22 176.58 1yua s TYR 112 N -0.54 2.86 0.00 0.36 5.04 -0.75 0.51 117.35 124.83 1yua s TYR 112 Ca 0.09 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.41 1yua s TYR 112 Cb -0.09 -3.95 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1yua s TYR 112 CO -0.01 -1.31 0.00 0.28 -1.34 0.00 0.00 175.55 173.18 1yua n VAL 113 N 5.95 0.00 -2.01 3.14 0.31 -0.62 -4.71 118.33 120.40 1yua n VAL 113 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.05 1yua n VAL 113 Cb 0.46 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.33 1yua n VAL 113 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1yua s ASP 114 N -1.00 4.95 -0.96 4.52 1.47 -1.26 -2.86 116.67 121.53 1yua s ASP 114 Ca 0.00 -1.01 0.00 0.00 1.18 0.00 0.00 52.55 52.72 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 40.01 1yua s ASP 114 CO 0.00 -3.02 0.00 0.61 0.68 0.00 0.00 175.17 173.44 1yua n GLY 115 N 6.43 0.00 2.63 2.12 0.00 -1.26 -4.83 105.19 110.29 1yua n GLY 115 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 1yua n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yua n LYS 116 N -2.40 1.81 -0.81 1.61 4.01 -1.14 -5.10 118.16 116.15 1yua n LYS 116 Ca -0.12 -4.32 -0.34 0.00 -0.51 0.00 0.00 58.31 53.03 1yua n LYS 116 Cb 0.51 -2.13 0.12 0.00 -0.51 0.00 0.00 35.03 33.01 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 1.63 -2.01 -4.04 2.13 7.02 -1.25 -1.58 117.44 119.34 1yua n TRP 117 Ca 0.24 0.19 -0.13 0.00 -1.02 0.00 0.00 57.50 56.78 1yua n TRP 117 Cb 0.40 -1.67 -0.03 0.00 -2.42 0.00 0.00 31.31 27.59 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 -2.29 0.00 -0.18 -0.99 -7.23 0.18 -4.72 120.40 105.17 1yua s VAL 118 Ca 0.53 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 59.18 1yua s VAL 118 Cb -0.17 -2.65 0.06 0.00 0.56 0.00 0.00 36.38 34.18 1yua s VAL 118 CO 0.69 0.00 0.03 -1.61 -0.31 0.00 0.00 175.10 173.90 1yua s GLU 119 N -3.00 0.70 0.34 4.82 2.02 -1.26 -1.86 118.70 120.45 1yua s GLU 119 Ca 0.28 -0.40 0.27 0.00 0.02 0.00 0.00 54.97 55.13 1yua s GLU 119 Cb -0.01 -2.04 1.06 0.00 0.10 0.00 0.00 34.13 33.24 1yua s GLU 119 CO 0.18 -0.61 1.79 0.78 0.02 0.00 0.00 175.26 177.42 1yua h GLY 120 N 8.24 0.00 -5.36 -1.39 0.00 -1.76 -3.48 103.07 99.31 1yua h GLY 120 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1yua h GLY 120 CO 0.33 0.00 -1.14 1.17 0.00 0.00 0.00 176.54 176.90 1yua n LYS 121 N -2.50 -3.49 -0.23 4.80 4.81 -1.26 -5.00 118.16 115.30 1yua n LYS 121 Ca 0.02 2.74 0.00 0.00 -0.87 0.00 0.00 58.31 60.20 1yua n LYS 121 Cb 0.27 -3.99 0.00 0.00 0.02 0.00 0.00 35.03 31.34 1yua n LYS 121 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74