#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 0.00 3.17 4.13 -1.26 -5.16 115.26 116.14 1yua n ASN 2 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1yua n ASN 2 Cb 0.00 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 1yua n ASN 2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1yua n GLY 3 N 3.21 4.11 3.45 7.41 0.00 -1.26 -5.10 105.19 117.01 1yua n GLY 3 Ca 0.00 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 1yua n GLY 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yua s GLU 4 N -3.67 -1.42 -0.39 1.61 2.02 -1.26 -5.03 118.70 110.55 1yua s GLU 4 Ca 0.00 0.60 0.04 0.00 0.02 0.00 0.00 54.97 55.63 1yua s GLU 4 Cb 0.00 -1.51 0.16 0.00 0.10 0.00 0.00 34.13 32.88 1yua s GLU 4 CO 0.00 -4.00 0.45 0.54 0.02 0.00 0.00 175.26 172.27 1yua s VAL 5 N -2.46 -0.47 -0.08 2.63 0.11 -1.26 -5.00 120.40 113.87 1yua s VAL 5 Ca 0.68 -0.88 -0.03 0.00 -2.93 0.00 0.00 61.98 58.82 1yua s VAL 5 Cb -0.22 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1yua s VAL 5 CO 0.63 -0.46 0.11 0.00 -3.33 0.00 0.00 175.10 172.04 1yua n ALA 6 N 4.10 -3.01 -0.67 1.54 0.00 -1.26 -5.00 120.51 116.21 1yua n ALA 6 Ca 0.13 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 1yua n ALA 6 Cb 0.48 -0.69 0.16 0.00 0.00 0.00 0.00 19.45 19.41 1yua n ALA 6 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yua n PRO 7 N -0.41 -1.66 -0.03 0.00 -0.02 -1.26 -4.92 135.00 126.70 1yua n PRO 7 Ca 0.02 -0.47 -0.13 0.00 -2.02 0.00 0.00 63.50 60.89 1yua n PRO 7 Cb 0.08 -1.62 -0.09 0.00 -0.02 0.00 0.00 33.50 31.85 1yua n PRO 7 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1yua h PRO 8 N -2.11 0.17 -4.01 0.52 0.13 -2.06 -3.33 132.00 121.31 1yua h PRO 8 Ca -0.49 -0.10 -0.72 0.00 -0.87 0.00 0.00 66.00 63.82 1yua h PRO 8 Cb 1.29 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.34 1yua h PRO 8 CO 0.34 0.65 2.66 1.63 -0.23 0.00 0.00 178.00 183.04 1yua n LYS 9 N -4.69 3.14 -1.67 0.86 4.76 -1.26 -4.91 118.16 114.39 1yua n LYS 9 Ca -0.08 -2.99 -0.17 0.00 -2.87 0.00 0.00 58.31 52.21 1yua n LYS 9 Cb 0.33 -3.18 -0.06 0.00 -1.84 0.00 0.00 35.03 30.27 1yua n LYS 9 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1yua s GLU 10 N 2.32 1.81 -0.43 1.97 8.01 -1.25 -4.72 118.70 126.41 1yua s GLU 10 Ca 0.45 0.35 0.10 0.00 0.01 0.00 0.00 54.97 55.88 1yua s GLU 10 Cb 0.11 -4.83 0.32 0.00 -4.31 0.00 0.00 34.13 25.42 1yua s GLU 10 CO -0.04 -4.20 0.73 -0.25 0.01 0.00 0.00 175.26 171.50 1yua n ASP 11 N 17.64 1.51 0.00 -0.19 8.00 -1.26 -4.95 116.55 137.31 1yua n ASP 11 Ca 0.45 -3.09 -0.00 0.00 0.71 0.00 0.00 54.79 52.86 1yua n ASP 11 Cb 0.44 -0.62 -0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1yua n ASP 11 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1yua h PRO 12 N 3.27 -0.02 -1.63 -0.24 0.13 -1.84 -3.44 132.00 128.22 1yua h PRO 12 Ca 0.11 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.77 1yua h PRO 12 Cb 0.85 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.64 1yua h PRO 12 CO 0.57 -0.01 -1.03 0.28 -0.23 0.00 0.00 178.00 177.57 1yua n VAL 13 N -2.42 -0.35 -1.66 1.56 0.31 -1.12 -4.99 118.33 109.67 1yua n VAL 13 Ca -0.00 -3.80 -0.50 0.00 -0.01 0.00 0.00 64.34 60.03 1yua n VAL 13 Cb 0.01 -0.61 -0.05 0.00 -0.91 0.00 0.00 33.84 32.28 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 0.85 1.76 -2.88 5.55 -0.02 -1.26 -1.16 135.00 137.85 1yua n PRO 14 Ca 0.20 0.64 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 1yua n PRO 14 Cb 0.61 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 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 4.23 5.39 -0.36 2.45 4.77 -0.64 -4.82 117.00 128.02 1yua n LEU 15 Ca 0.20 -5.57 0.04 0.00 -0.03 0.00 0.00 56.01 50.65 1yua n LEU 15 Cb 0.24 -0.77 0.11 0.00 -2.33 0.00 0.00 43.42 40.67 1yua n LEU 15 CO 0.68 2.23 0.63 -2.65 -1.33 0.00 0.00 177.39 176.95 1yua n PRO 16 N -0.09 -0.12 -0.33 3.23 -0.02 -1.26 -0.06 135.00 136.34 1yua n PRO 16 Ca 0.36 1.53 0.24 0.00 -2.02 0.00 0.00 63.50 63.60 1yua n PRO 16 Cb 0.35 -2.28 0.45 0.00 -0.02 0.00 0.00 33.50 32.01 1yua n PRO 16 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1yua n GLU 17 N -5.56 -0.07 -3.44 -0.52 4.07 -1.26 -2.69 120.64 111.17 1yua n GLU 17 Ca 0.14 1.43 -0.44 0.00 -0.06 0.00 0.00 57.16 58.24 1yua n GLU 17 Cb 0.47 -2.43 -0.06 0.00 -0.06 0.00 0.00 31.44 29.36 1yua n GLU 17 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1yua s LEU 18 N -10.74 6.11 1.03 4.31 2.34 0.91 -5.06 118.68 117.59 1yua s LEU 18 Ca -0.11 -2.28 -0.12 0.00 0.06 0.00 0.00 54.13 51.68 1yua s LEU 18 Cb 0.32 -2.10 0.21 0.00 -0.56 0.00 0.00 46.19 44.05 1yua s LEU 18 CO 0.78 -0.65 1.08 -2.16 -1.06 0.00 0.00 176.35 174.34 1yua s PRO 19 N 0.82 0.18 -0.05 1.48 0.04 -1.09 -0.80 135.00 135.58 1yua s PRO 19 Ca 0.11 0.60 0.06 0.00 0.04 0.00 0.00 61.00 61.81 1yua s PRO 19 Cb -0.21 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1yua s PRO 19 CO -0.03 -2.92 -0.25 0.00 0.04 0.00 0.00 177.00 173.85 1yua n GLU 21 N 2.86 -1.58 -3.56 0.00 2.13 -1.26 -1.28 120.64 117.94 1yua n GLU 21 Ca -0.17 0.84 -0.25 0.00 0.66 0.00 0.00 57.16 58.24 1yua n GLU 21 Cb 0.52 -5.12 0.06 0.00 0.27 0.00 0.00 31.44 27.17 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 -1.21 -6.91 0.00 5.31 4.76 -1.26 -4.97 118.16 113.88 1yua n LYS 22 Ca -0.12 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 1yua n LYS 22 Cb 0.53 -5.78 0.00 0.00 -1.84 0.00 0.00 35.03 27.94 1yua n LYS 22 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1yua n SER 23 N -2.88 1.76 -0.04 4.39 2.88 -0.40 -4.98 113.62 114.33 1yua n SER 23 Ca -0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1yua n SER 23 Cb 0.56 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.44 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 0.12 -4.87 -3.46 8.00 -1.26 -4.56 116.55 110.52 1yua n ASP 24 Ca 0.00 -1.56 -0.22 0.00 0.71 0.00 0.00 54.79 53.72 1yua n ASP 24 Cb 0.00 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yua s ALA 25 N -1.98 3.88 0.17 2.24 0.00 -1.26 -4.97 121.76 119.83 1yua s ALA 25 Ca 0.22 -1.53 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 1yua s ALA 25 Cb 0.10 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 21.22 1yua s ALA 25 CO 0.17 -1.02 0.26 2.48 0.00 0.00 0.00 175.76 177.65 1yua n TYR 26 N -2.52 -1.06 -3.08 0.00 0.18 -1.26 -1.30 117.16 108.12 1yua n TYR 26 Ca 0.11 -1.04 -0.44 0.00 1.88 0.00 0.00 57.90 58.41 1yua n TYR 26 Cb 0.60 0.29 -0.00 0.00 -0.38 0.00 0.00 39.34 39.85 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 -4.45 3.74 -1.07 -3.48 0.08 0.01 -0.42 117.98 112.39 1yua s PHE 27 Ca 0.12 -2.28 -0.22 0.00 0.12 0.00 0.00 56.93 54.66 1yua s PHE 27 Cb -0.01 -4.15 0.01 0.00 -0.57 0.00 0.00 43.02 38.30 1yua s PHE 27 CO 0.09 -1.25 1.71 0.08 -0.10 0.00 0.00 175.22 175.74 1yua s VAL 28 N 0.69 3.78 0.22 -0.44 1.01 -0.51 -1.63 120.40 123.52 1yua s VAL 28 Ca 0.38 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1yua s VAL 28 Cb -0.05 -4.74 -0.16 0.00 0.00 0.00 0.00 36.38 31.43 1yua s VAL 28 CO -0.03 -1.56 0.82 -0.11 0.00 0.00 0.00 175.10 174.22 1yua n LEU 29 N 10.92 0.30 0.00 3.92 0.00 -0.31 -3.89 117.00 127.94 1yua n LEU 29 Ca 0.40 1.15 -0.02 0.00 0.00 0.00 0.00 56.01 57.54 1yua n LEU 29 Cb 0.48 -1.11 -0.01 0.00 0.00 0.00 0.00 43.42 42.79 1yua n LEU 29 CO 0.67 -2.12 -0.01 0.54 0.00 0.00 0.00 177.39 176.47 1yua n ARG 30 N 1.04 0.33 -3.46 1.96 1.74 -0.42 -2.79 116.66 115.07 1yua n ARG 30 Ca 0.15 -0.24 -0.25 0.00 -0.77 0.00 0.00 57.85 56.74 1yua n ARG 30 Cb 0.26 0.17 -0.12 0.00 -1.02 0.00 0.00 32.46 31.76 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 -1.17 2.67 0.00 0.55 -4.77 -1.26 -1.91 116.67 110.78 1yua s ASP 31 Ca 0.02 -1.63 0.00 0.00 -3.30 0.00 0.00 52.55 47.65 1yua s ASP 31 Cb 0.00 -0.10 0.00 0.00 -1.09 0.00 0.00 42.92 41.73 1yua s ASP 31 CO 0.02 -0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.15 1yua n GLY 32 N 4.61 -1.77 2.79 2.12 0.00 -1.20 -4.86 105.19 106.88 1yua n GLY 32 Ca 0.05 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 1yua n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yua n ALA 33 N -3.00 6.15 0.00 4.61 0.00 -1.26 -4.46 120.51 122.55 1yua n ALA 33 Ca 0.00 -4.33 0.00 0.00 0.00 0.00 0.00 53.44 49.11 1yua n ALA 33 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.36 0.00 -3.55 0.00 0.00 -1.26 -5.16 120.51 110.19 1yua n ALA 34 Ca 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.86 1yua n ALA 34 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.58 -0.41 1.18 0.00 0.00 -1.26 -4.84 107.32 100.42 1yua s GLY 35 Ca 0.00 1.03 -0.19 0.00 0.00 0.00 0.00 44.72 45.56 1yua s GLY 35 CO 0.00 0.33 1.14 -1.34 0.00 0.00 0.00 173.10 173.23 1yua s VAL 36 N -2.99 1.63 -0.07 1.40 -7.23 -1.26 -3.26 120.40 108.62 1yua s VAL 36 Ca 0.07 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.00 1yua s VAL 36 Cb -0.01 -2.55 0.08 0.00 0.56 0.00 0.00 36.38 34.46 1yua s VAL 36 CO -0.07 0.00 1.07 2.22 -0.31 0.00 0.00 175.10 178.01 1yua n PHE 37 N -4.67 -0.03 -3.90 2.82 -1.74 -0.80 -4.31 117.46 104.83 1yua n PHE 37 Ca 0.14 -0.40 -0.30 0.00 -0.56 0.00 0.00 57.45 56.32 1yua n PHE 37 Cb 0.60 0.17 -0.14 0.00 1.52 0.00 0.00 39.48 41.63 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 3.92 0.23 5.98 1.43 -0.54 -1.30 118.68 128.41 1yua s LEU 38 Ca 0.26 -2.73 -0.12 0.00 -1.03 0.00 0.00 54.13 50.51 1yua s LEU 38 Cb -0.00 -1.47 -0.08 0.00 0.03 0.00 0.00 46.19 44.68 1yua s LEU 38 CO -0.02 -0.27 0.59 0.00 0.23 0.00 0.00 176.35 176.87 1yua s ALA 39 N 0.13 3.52 0.49 4.21 0.00 -1.25 -3.86 121.76 124.99 1yua s ALA 39 Ca 0.16 -0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.72 1yua s ALA 39 Cb -0.24 -2.52 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 1yua s ALA 39 CO -0.02 0.46 1.16 0.00 0.00 0.00 0.00 175.76 177.36 1yua s ALA 40 N -1.79 2.88 -1.15 0.00 0.00 -1.25 -1.43 121.76 119.02 1yua s ALA 40 Ca 0.47 0.92 0.23 0.00 0.00 0.00 0.00 51.96 53.58 1yua s ALA 40 Cb -0.12 -3.38 1.07 0.00 0.00 0.00 0.00 23.12 20.69 1yua s ALA 40 CO 0.20 -0.72 1.76 -1.71 0.00 0.00 0.00 175.76 175.29 1yua n ASN 41 N -0.74 0.00 -0.93 0.00 5.15 0.43 -2.31 115.26 116.87 1yua n ASN 41 Ca 0.09 0.30 0.12 0.00 -0.60 0.00 0.00 54.58 54.49 1yua n ASN 41 Cb 0.49 -0.42 0.18 0.00 -0.53 0.00 0.00 39.78 39.50 1yua n ASN 41 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1yua n THR 42 N -1.42 0.11 -1.22 -0.44 -2.24 -1.26 -4.90 114.28 102.90 1yua n THR 42 Ca 0.08 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.94 1yua n THR 42 Cb 0.24 1.23 -0.01 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.20 -1.22 1.62 4.78 -0.00 -0.98 -0.85 117.46 122.02 1yua n PHE 43 Ca 0.16 0.72 0.15 0.00 -0.00 0.00 0.00 57.45 58.48 1yua n PHE 43 Cb 0.56 -1.69 0.80 0.00 -0.00 0.00 0.00 39.48 39.15 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 1.07 0.67 -0.50 -7.13 -0.04 -1.26 -4.82 135.00 122.99 1yua n PRO 44 Ca 0.13 -0.04 0.43 0.00 -0.04 0.00 0.00 63.50 63.98 1yua n PRO 44 Cb 0.30 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 32.97 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 0.10 0.00 -3.49 0.54 3.64 -1.39 -3.14 116.57 112.83 1yua h LYS 45 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 1yua h LYS 45 Cb 0.20 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.62 1yua h LYS 45 CO 0.00 0.00 -0.76 -1.54 -2.27 0.00 0.00 179.45 174.88 1yua s SER 46 N -3.96 3.89 -0.27 4.20 1.04 -1.26 -4.98 113.70 112.36 1yua s SER 46 Ca -0.04 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.86 1yua s SER 46 Cb 0.23 -0.80 0.26 0.00 0.10 0.00 0.00 66.02 65.81 1yua s SER 46 CO 0.76 -0.41 1.76 0.54 0.98 0.00 0.00 173.24 176.87 1yua n ARG 47 N 4.90 1.71 -1.21 4.02 1.74 -1.19 -3.90 116.66 122.73 1yua n ARG 47 Ca -0.03 -1.51 -0.20 0.00 -0.77 0.00 0.00 57.85 55.34 1yua n ARG 47 Cb 0.42 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.06 2.13 -3.81 5.56 1.02 -1.26 -4.91 120.64 119.43 1yua n GLU 48 Ca 0.29 -1.70 -0.27 0.00 -0.02 0.00 0.00 57.16 55.47 1yua n GLU 48 Cb 0.79 -1.98 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.06 5.26 0.00 2.62 -4.23 -1.25 -4.56 115.64 112.42 1yua s THR 49 Ca 0.56 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1yua s THR 49 Cb 0.33 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1yua s THR 49 CO -0.12 -0.13 0.00 0.54 -0.54 0.00 0.00 174.62 174.38 1yua n ARG 50 N -0.59 0.00 -1.56 3.99 1.74 -1.25 -4.89 116.66 114.10 1yua n ARG 50 Ca -0.06 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.59 1yua n ARG 50 Cb 0.54 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.98 1yua n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yua n ALA 51 N -0.88 -0.50 -2.39 7.54 0.00 -1.26 -1.46 120.51 121.57 1yua n ALA 51 Ca 0.00 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 1yua n ALA 51 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 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 -1.71 4.49 0.45 0.00 0.04 -1.26 -4.52 135.00 132.48 1yua s PRO 52 Ca 0.62 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 1yua s PRO 52 Cb -0.63 -3.35 -0.10 0.00 0.04 0.00 0.00 34.50 30.46 1yua s PRO 52 CO 0.58 -0.15 1.03 1.28 0.04 0.00 0.00 177.00 179.78 1yua n LEU 53 N 3.57 2.94 0.22 -3.56 4.77 -1.26 -2.32 117.00 121.36 1yua n LEU 53 Ca 0.07 1.01 0.10 0.00 -0.03 0.00 0.00 56.01 57.16 1yua n LEU 53 Cb 0.47 -1.38 0.65 0.00 -2.33 0.00 0.00 43.42 40.84 1yua n LEU 53 CO 0.55 -1.43 1.09 0.58 -1.33 0.00 0.00 177.39 176.84 1yua h VAL 54 N 1.46 0.95 0.03 4.08 2.07 -1.72 -0.25 116.25 122.86 1yua h VAL 54 Ca -0.46 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 66.85 1yua h VAL 54 Cb 1.34 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1yua h VAL 54 CO 0.56 0.00 -0.97 1.05 0.02 0.00 0.00 177.57 178.24 1yua h GLU 55 N 0.00 0.22 0.00 1.57 4.11 -1.84 -2.58 114.58 116.05 1yua h GLU 55 Ca 0.04 -0.27 -0.03 0.00 0.07 0.00 0.00 59.36 59.17 1yua h GLU 55 Cb 0.16 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1yua h GLU 55 CO -0.00 1.03 -0.15 1.49 0.07 0.00 0.00 179.01 181.45 1yua h GLU 56 N 0.11 0.00 0.22 1.06 4.81 -1.44 -1.86 114.58 117.48 1yua h GLU 56 Ca -0.06 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.84 1yua h GLU 56 Cb 1.63 0.00 0.04 0.00 0.63 0.00 0.00 28.75 31.04 1yua h GLU 56 CO 0.15 0.15 -1.42 1.25 -0.73 0.00 0.00 179.01 178.41 1yua h LEU 57 N 0.00 0.85 -0.14 1.64 7.12 -1.02 -2.60 115.31 121.15 1yua h LEU 57 Ca -0.00 -0.88 -0.10 0.00 0.13 0.00 0.00 57.88 57.04 1yua h LEU 57 Cb 0.80 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1yua h LEU 57 CO 0.02 1.68 -0.29 0.22 -0.13 0.00 0.00 178.44 179.94 1yua h TYR 58 N 0.18 0.57 -0.07 1.25 3.20 -1.36 0.30 116.97 121.04 1yua h TYR 58 Ca -0.24 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1yua h TYR 58 Cb 2.11 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 40.27 1yua h TYR 58 CO 0.12 0.91 0.04 -0.09 -1.64 0.00 0.00 178.16 177.51 1yua h ARG 59 N 0.06 0.09 -0.76 1.82 2.43 -1.45 -1.99 114.38 114.58 1yua h ARG 59 Ca 0.00 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1yua h ARG 59 Cb 0.88 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 1yua h ARG 59 CO 0.06 0.07 0.10 1.19 -1.51 0.00 0.00 179.97 179.89 1yua n PHE 60 N -5.03 1.68 0.12 2.20 3.72 -0.98 -4.29 117.46 114.87 1yua n PHE 60 Ca -0.06 -0.72 0.01 0.00 -0.05 0.00 0.00 57.45 56.62 1yua n PHE 60 Cb 0.04 -0.48 0.31 0.00 -0.94 0.00 0.00 39.48 38.41 1yua n PHE 60 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1yua h ARG 61 N 2.48 0.19 0.00 -1.08 2.43 0.41 -1.38 114.38 117.43 1yua h ARG 61 Ca 0.09 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1yua h ARG 61 Cb 1.75 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 1yua h ARG 61 CO 0.45 0.47 0.00 -0.25 -1.51 0.00 0.00 179.97 179.14 1yua n ASP 62 N -4.13 0.00 0.00 -3.80 8.00 -1.26 -2.44 116.55 112.92 1yua n ASP 62 Ca -0.01 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1yua n ASP 62 Cb 0.38 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.09 0.52 -2.81 -1.24 0.63 -0.56 -5.04 116.66 107.07 1yua n ARG 63 Ca 0.14 -0.84 -0.19 0.00 -0.92 0.00 0.00 57.85 56.05 1yua n ARG 63 Cb 0.11 -0.96 0.02 0.00 0.45 0.00 0.00 32.46 32.08 1yua n ARG 63 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1yua s LEU 64 N -0.36 3.45 0.00 6.15 2.34 -0.96 -5.01 118.68 124.29 1yua s LEU 64 Ca 0.00 -0.19 0.00 0.00 0.06 0.00 0.00 54.13 54.00 1yua s LEU 64 Cb 0.00 -2.78 0.00 0.00 -0.56 0.00 0.00 46.19 42.85 1yua s LEU 64 CO 0.00 -0.97 0.11 -0.81 -1.06 0.00 0.00 176.35 173.62 1yua n PRO 65 N -2.12 0.00 0.00 1.48 -0.04 -1.26 -5.02 135.00 128.04 1yua n PRO 65 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1yua n PRO 65 Cb 0.59 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 1yua n PRO 65 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yua n GLU 66 N -0.24 0.00 0.00 0.54 2.13 -1.26 -4.95 120.64 116.86 1yua n GLU 66 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1yua n GLU 66 Cb 0.00 0.00 0.22 0.00 0.27 0.00 0.00 31.44 31.93 1yua n GLU 66 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1yua n LYS 67 N 0.00 0.33 0.00 5.31 4.01 -1.26 -1.78 118.16 124.77 1yua n LYS 67 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1yua n LYS 67 Cb 0.00 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.17 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1yua n LEU 68 N -0.85 1.35 0.47 -0.35 4.32 -1.26 -4.80 117.00 115.88 1yua n LEU 68 Ca 0.06 -1.35 -0.20 0.00 -0.02 0.00 0.00 56.01 54.50 1yua n LEU 68 Cb 0.03 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.73 1yua n LEU 68 CO 0.04 0.34 0.56 -0.09 -1.22 0.00 0.00 177.39 177.02 1yua h ARG 69 N 0.00 -1.18 -0.87 3.23 2.43 -1.74 -1.00 114.38 115.26 1yua h ARG 69 Ca 0.00 0.08 0.25 0.00 -0.81 0.00 0.00 59.98 59.50 1yua h ARG 69 Cb 0.49 0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1yua h ARG 69 CO 0.00 -0.79 0.83 0.10 -1.51 0.00 0.00 179.97 178.60 1yua h TYR 70 N -1.23 0.00 0.02 2.20 -0.00 -1.87 0.62 116.97 116.72 1yua h TYR 70 Ca -0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 58.73 58.43 1yua h TYR 70 Cb 0.96 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.70 1yua h TYR 70 CO -0.04 0.00 -0.72 -0.07 -0.00 0.00 0.00 178.16 177.33 1yua h LEU 71 N 0.00 0.59 0.00 0.10 3.38 -1.56 -3.00 115.31 114.82 1yua h LEU 71 Ca 0.41 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1yua h LEU 71 Cb 2.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1yua h LEU 71 CO -0.00 1.30 0.00 0.00 0.09 0.00 0.00 178.44 179.83 1yua n ALA 72 N -2.61 1.68 0.04 1.53 0.00 0.21 -1.99 120.51 119.35 1yua n ALA 72 Ca -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1yua n ALA 72 Cb 0.74 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 1yua n ALA 72 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1yua h ASP 73 N 0.00 0.00 -3.95 0.00 3.32 -1.10 -3.41 116.42 111.28 1yua h ASP 73 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1yua h ASP 73 Cb 0.20 0.00 0.19 0.00 0.22 0.00 0.00 39.33 39.94 1yua h ASP 73 CO 0.00 0.65 0.11 0.00 -1.72 0.00 0.00 179.24 178.29 1yua n ALA 74 N -2.40 -0.56 -1.61 3.45 0.00 -0.84 -4.84 120.51 113.71 1yua n ALA 74 Ca -0.09 -0.35 -0.48 0.00 0.00 0.00 0.00 53.44 52.52 1yua n ALA 74 Cb 0.86 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 1yua n ALA 74 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1yua n PRO 75 N -2.70 1.48 -1.76 0.00 -0.02 -1.26 -4.89 135.00 125.85 1yua n PRO 75 Ca 0.12 0.53 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 1yua n PRO 75 Cb 0.51 -2.11 0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1yua n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yua n GLN 76 N 2.04 3.04 0.00 -0.52 10.64 -1.26 -4.56 117.38 126.75 1yua n GLN 76 Ca 0.15 -3.72 0.00 0.00 -1.83 0.00 0.00 57.00 51.60 1yua n GLN 76 Cb 0.26 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.36 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 -0.74 0.00 0.00 2.61 10.64 -1.26 -2.50 117.38 126.13 1yua n GLN 77 Ca 0.53 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.70 1yua n GLN 77 Cb 0.67 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.05 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 0.31 2.61 5.75 -1.26 -3.12 116.55 120.84 1yua n ASP 78 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.85 1yua n ASP 78 Cb 0.00 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 40.48 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 -2.67 132.00 127.55 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 -0.13 1.49 -0.21 0.00 0.00 178.00 179.15 1yua h GLU 80 N 0.00 0.00 0.00 1.05 4.81 -2.04 -3.50 114.58 114.90 1yua h GLU 80 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1yua h GLU 80 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1yua h GLU 80 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 1yua n GLY 81 N 1.73 1.22 3.45 1.92 0.00 -1.01 -5.08 105.19 107.43 1yua n GLY 81 Ca -0.02 -0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 1yua n GLY 81 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yua n ASN 82 N 0.00 0.98 -3.62 1.61 0.23 -1.18 -4.62 115.26 108.66 1yua n ASN 82 Ca 0.00 0.19 -0.34 0.00 -0.53 0.00 0.00 54.58 53.90 1yua n ASN 82 Cb 0.00 -1.08 0.00 0.00 -2.08 0.00 0.00 39.78 36.63 1yua n ASN 82 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1yua n LYS 83 N 8.36 0.00 -5.08 -3.83 4.76 -1.26 -4.08 118.16 117.02 1yua n LYS 83 Ca 0.56 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.69 1yua n LYS 83 Cb 0.13 -0.85 -0.17 0.00 -1.84 0.00 0.00 35.03 32.31 1yua n LYS 83 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1yua s THR 84 N -1.56 1.89 0.36 -0.18 2.01 -1.04 -0.89 115.64 116.23 1yua s THR 84 Ca 0.49 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.65 1yua s THR 84 Cb -0.48 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1yua s THR 84 CO 0.54 0.52 0.29 0.00 -0.69 0.00 0.00 174.62 175.29 1yua s MET 85 N 0.42 2.61 0.46 4.92 0.23 -1.03 -2.26 119.30 124.65 1yua s MET 85 Ca -0.18 -1.41 -0.20 0.00 -1.03 0.00 0.00 55.69 52.87 1yua s MET 85 Cb -0.17 -2.39 -0.10 0.00 -1.53 0.00 0.00 34.83 30.63 1yua s MET 85 CO 0.08 0.01 0.98 0.08 -2.03 0.00 0.00 175.02 174.14 1yua s VAL 86 N -2.38 4.22 0.08 5.16 1.01 -0.98 -1.23 120.40 126.29 1yua s VAL 86 Ca 0.42 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.77 1yua s VAL 86 Cb -0.04 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1yua s VAL 86 CO 0.26 -0.34 0.06 0.54 0.00 0.00 0.00 175.10 175.63 1yua n ARG 87 N -0.85 0.18 -3.83 2.72 5.12 0.22 -4.36 116.66 115.86 1yua n ARG 87 Ca 0.08 -0.77 -0.17 0.00 -1.93 0.00 0.00 57.85 55.05 1yua n ARG 87 Cb 0.54 0.61 -0.17 0.00 -1.16 0.00 0.00 32.46 32.28 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 -2.26 0.22 -0.14 -1.55 5.36 -1.26 -2.07 117.98 116.28 1yua s PHE 88 Ca 0.09 0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 56.08 1yua s PHE 88 Cb 0.00 -0.40 -0.03 0.00 -0.34 0.00 0.00 43.02 42.25 1yua s PHE 88 CO 0.06 -0.14 0.01 -1.12 -1.46 0.00 0.00 175.22 172.57 1yua s SER 89 N 1.30 5.26 0.05 6.13 0.01 -0.85 -4.89 113.70 120.71 1yua s SER 89 Ca -0.06 0.06 0.25 0.00 1.31 0.00 0.00 55.95 57.50 1yua s SER 89 Cb -0.13 -1.73 0.44 0.00 0.21 0.00 0.00 66.02 64.81 1yua s SER 89 CO -0.03 0.26 1.37 -1.14 0.41 0.00 0.00 173.24 174.11 1yua n ARG 90 N 2.95 0.14 0.31 12.44 0.63 -1.26 -1.20 116.66 130.68 1yua n ARG 90 Ca -0.18 0.04 0.20 0.00 -0.92 0.00 0.00 57.85 56.99 1yua n ARG 90 Cb 0.53 -1.58 1.00 0.00 0.45 0.00 0.00 32.46 32.86 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 -1.97 -3.22 116.57 117.80 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 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1yua h LYS 91 CO 0.00 0.01 -0.13 0.25 -2.06 0.00 0.00 179.45 177.52 1yua n THR 92 N -3.15 0.00 -3.93 -0.16 -2.24 -1.24 -5.03 114.28 98.53 1yua n THR 92 Ca -0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 1yua n THR 92 Cb 0.16 0.41 0.03 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.60 -2.80 -0.78 4.76 -0.34 -4.95 118.16 113.46 1yua n LYS 93 Ca 0.00 0.22 -0.07 0.00 -2.87 0.00 0.00 58.31 55.58 1yua n LYS 93 Cb 0.55 -3.11 -0.03 0.00 -1.84 0.00 0.00 35.03 30.61 1yua n LYS 93 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1yua n GLN 94 N -4.73 0.35 -4.00 1.97 6.02 -0.97 -4.97 117.38 111.04 1yua n GLN 94 Ca -0.10 -1.18 -0.35 0.00 -0.01 0.00 0.00 57.00 55.35 1yua n GLN 94 Cb 0.57 0.87 -0.13 0.00 1.02 0.00 0.00 30.24 32.57 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 -2.50 3.57 -0.07 -1.09 -1.52 -1.26 -2.02 119.66 114.77 1yua s GLN 95 Ca 0.12 -0.54 0.04 0.00 -1.95 0.00 0.00 55.36 53.03 1yua s GLN 95 Cb 0.01 -3.09 -0.00 0.00 -0.22 0.00 0.00 33.01 29.70 1yua s GLN 95 CO 0.08 -0.06 -0.20 1.52 -0.25 0.00 0.00 175.29 176.38 1yua s TYR 96 N 1.18 2.09 0.57 0.91 -0.85 -0.88 -2.33 117.35 118.05 1yua s TYR 96 Ca 0.03 -0.73 -0.04 0.00 -0.52 0.00 0.00 57.07 55.82 1yua s TYR 96 Cb -0.14 -1.41 0.02 0.00 0.38 0.00 0.00 41.96 40.80 1yua s TYR 96 CO 0.01 -0.28 0.85 0.14 -1.52 0.00 0.00 175.55 174.75 1yua s VAL 97 N 0.20 3.32 -0.18 -3.49 -7.23 0.75 0.71 120.40 114.48 1yua s VAL 97 Ca -0.11 -0.26 -0.07 0.00 -1.81 0.00 0.00 61.98 59.74 1yua s VAL 97 Cb -0.15 -3.30 0.08 0.00 0.56 0.00 0.00 36.38 33.57 1yua s VAL 97 CO 0.05 -0.28 0.38 -0.44 -0.31 0.00 0.00 175.10 174.50 1yua s SER 98 N -4.34 -0.15 -0.24 4.85 0.01 -0.36 0.22 113.70 113.68 1yua s SER 98 Ca 0.54 0.88 -0.29 0.00 1.31 0.00 0.00 55.95 58.40 1yua s SER 98 Cb -0.10 1.11 -0.03 0.00 0.21 0.00 0.00 66.02 67.20 1yua s SER 98 CO 0.42 -0.23 1.82 -0.44 0.41 0.00 0.00 173.24 175.23 1yua s SER 99 N 2.38 6.03 0.03 2.44 0.01 0.08 -2.47 113.70 122.20 1yua s SER 99 Ca -0.02 1.62 0.01 0.00 1.31 0.00 0.00 55.95 58.87 1yua s SER 99 Cb -0.11 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1yua s SER 99 CO -0.12 -1.54 -0.06 -0.70 0.41 0.00 0.00 173.24 171.23 1yua s GLU 100 N 5.34 0.42 -0.20 12.44 2.12 -0.07 -1.73 118.70 137.02 1yua s GLU 100 Ca 0.81 -0.66 -0.07 0.00 0.36 0.00 0.00 54.97 55.41 1yua s GLU 100 Cb -0.27 -0.13 0.09 0.00 0.26 0.00 0.00 34.13 34.09 1yua s GLU 100 CO 0.33 0.01 0.43 0.21 -0.54 0.00 0.00 175.26 175.70 1yua s LYS 101 N -1.44 0.33 0.00 4.30 2.20 -1.26 -4.34 119.74 119.53 1yua s LYS 101 Ca -0.12 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 1yua s LYS 101 Cb -0.09 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1yua s LYS 101 CO -0.00 -0.24 0.00 -0.25 -0.36 0.00 0.00 175.35 174.49 1yua n ASP 102 N 5.33 0.00 0.00 1.43 8.00 -1.26 -2.71 116.55 127.34 1yua n ASP 102 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1yua n ASP 102 Cb 0.50 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.00 0.71 0.02 0.44 0.00 -1.26 -4.94 105.19 98.16 1yua n GLY 103 Ca 0.00 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.47 0.07 -3.13 1.61 2.85 -1.10 -5.00 118.16 110.98 1yua n LYS 104 Ca 0.00 -0.04 -0.19 0.00 -1.05 0.00 0.00 58.31 57.03 1yua n LYS 104 Cb 0.00 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 32.90 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 -1.43 -2.68 -0.26 0.58 0.00 -1.26 -4.71 120.51 110.75 1yua n ALA 105 Ca 0.06 0.66 0.33 0.00 0.00 0.00 0.00 53.44 54.49 1yua n ALA 105 Cb 0.34 -2.55 0.72 0.00 0.00 0.00 0.00 19.45 17.96 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 2.32 0.35 0.00 0.00 1.35 -1.69 -3.44 112.91 111.80 1yua h THR 106 Ca -0.22 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1yua h THR 106 Cb 1.05 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1yua h THR 106 CO 0.18 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1yua n GLY 107 N -1.73 2.27 3.73 5.82 0.00 -1.25 -5.03 105.19 109.01 1yua n GLY 107 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1yua n GLY 107 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1yua s TRP 108 N -2.16 2.93 -0.30 1.61 -0.00 -1.26 -4.43 118.94 115.32 1yua s TRP 108 Ca 0.00 0.68 0.01 0.00 -0.00 0.00 0.00 56.10 56.79 1yua s TRP 108 Cb 0.00 -4.00 0.14 0.00 -0.00 0.00 0.00 33.47 29.62 1yua s TRP 108 CO 0.00 -3.53 0.33 -1.54 -0.00 0.00 0.00 176.95 172.20 1yua s SER 109 N 0.81 1.37 0.35 5.86 1.04 -1.26 -0.74 113.70 121.13 1yua s SER 109 Ca 0.67 -0.82 -0.08 0.00 0.48 0.00 0.00 55.95 56.21 1yua s SER 109 Cb -0.46 0.62 -0.06 0.00 0.10 0.00 0.00 66.02 66.22 1yua s SER 109 CO 0.39 -0.36 0.66 0.00 0.98 0.00 0.00 173.24 174.91 1yua s ALA 110 N 2.25 3.48 -0.05 5.32 0.00 0.13 -2.54 121.76 130.36 1yua s ALA 110 Ca 0.11 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.74 1yua s ALA 110 Cb -0.14 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.47 1yua s ALA 110 CO -0.28 0.12 -0.19 -0.06 0.00 0.00 0.00 175.76 175.34 1yua s PHE 111 N -2.23 1.91 -0.58 0.00 0.40 -0.77 -0.18 117.98 116.53 1yua s PHE 111 Ca 0.48 -0.57 -0.24 0.00 -0.60 0.00 0.00 56.93 55.99 1yua s PHE 111 Cb -0.10 -1.28 0.04 0.00 0.51 0.00 0.00 43.02 42.19 1yua s PHE 111 CO 0.30 -0.19 0.99 -0.47 0.70 0.00 0.00 175.22 176.55 1yua s TYR 112 N 0.03 2.73 0.00 0.36 5.04 -0.98 0.42 117.35 124.95 1yua s TYR 112 Ca -0.05 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.53 1yua s TYR 112 Cb -0.12 -4.18 0.00 0.00 0.35 0.00 0.00 41.96 38.01 1yua s TYR 112 CO 0.03 -1.46 0.00 0.28 -1.34 0.00 0.00 175.55 173.06 1yua n VAL 113 N 6.21 0.00 -2.03 3.14 0.31 -0.61 -4.71 118.33 120.65 1yua n VAL 113 Ca 0.02 0.00 -0.27 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 33.35 1yua n VAL 113 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1yua s ASP 114 N -1.00 5.03 -1.02 4.52 1.01 -1.26 -2.85 116.67 121.10 1yua s ASP 114 Ca 0.00 -1.04 0.00 0.00 0.71 0.00 0.00 52.55 52.22 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1yua s ASP 114 CO 0.00 -2.94 0.00 0.61 0.21 0.00 0.00 175.17 173.05 1yua n GLY 115 N 6.44 0.06 2.52 0.21 0.00 -1.26 -4.83 105.19 108.34 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 -2.39 1.94 -0.80 1.61 5.02 -1.13 -5.10 118.16 117.31 1yua n LYS 116 Ca -0.12 -4.33 -0.33 0.00 -2.02 0.00 0.00 58.31 51.50 1yua n LYS 116 Cb 0.51 -2.09 0.12 0.00 -0.02 0.00 0.00 35.03 33.55 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 1.37 -1.57 -3.64 2.13 7.02 -1.25 -1.57 117.44 119.92 1yua n TRP 117 Ca 0.26 0.22 -0.04 0.00 -1.02 0.00 0.00 57.50 56.92 1yua n TRP 117 Cb 0.41 -1.76 -0.01 0.00 -2.42 0.00 0.00 31.31 27.54 1yua n TRP 117 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1yua n VAL 118 N -3.60 0.00 -3.63 -0.99 0.24 0.17 -4.74 118.33 105.77 1yua n VAL 118 Ca 0.06 -0.47 -0.03 0.00 -2.04 0.00 0.00 64.34 61.86 1yua n VAL 118 Cb 0.54 0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 33.16 1yua n VAL 118 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1yua s GLU 119 N -2.20 0.49 -0.46 7.34 4.04 -1.26 -1.84 118.70 124.81 1yua s GLU 119 Ca 0.08 1.29 -0.09 0.00 0.04 0.00 0.00 54.97 56.29 1yua s GLU 119 Cb -0.00 0.67 0.11 0.00 0.02 0.00 0.00 34.13 34.92 1yua s GLU 119 CO 0.06 -0.24 0.32 0.20 -1.84 0.00 0.00 175.26 173.76 1yua s GLY 120 N 2.80 2.02 0.56 -3.83 0.00 -1.05 -4.98 107.32 102.83 1yua s GLY 120 Ca -0.03 -2.40 -0.21 0.00 0.00 0.00 0.00 44.72 42.07 1yua s GLY 120 CO -0.17 1.06 1.26 1.17 0.00 0.00 0.00 173.10 176.42 1yua n LYS 121 N 4.92 1.44 -0.33 2.90 4.81 -1.26 -4.43 118.16 126.21 1yua n LYS 121 Ca -0.09 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1yua n LYS 121 Cb 0.41 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.00 1yua n LYS 121 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20