#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yua s ASN 2 N 0.00 5.65 -0.30 3.17 0.01 -1.26 -4.98 114.94 117.23 1yua s ASN 2 Ca 0.00 -0.81 -0.15 0.00 -0.71 0.00 0.00 52.86 51.18 1yua s ASN 2 Cb 0.00 -2.01 0.18 0.00 0.41 0.00 0.00 41.25 39.83 1yua s ASN 2 CO 0.00 -0.31 1.17 -0.83 -1.51 0.00 0.00 177.10 175.62 1yua s GLY 3 N 1.57 -1.03 -0.19 0.66 0.00 -1.26 -4.88 107.32 102.19 1yua s GLY 3 Ca 0.03 2.18 0.16 0.00 0.00 0.00 0.00 44.72 47.09 1yua s GLY 3 CO 0.06 4.28 1.54 -2.21 0.00 0.00 0.00 173.10 176.78 1yua n GLU 4 N 4.65 3.64 -2.69 2.90 2.13 -1.26 -4.58 120.64 125.43 1yua n GLU 4 Ca 0.09 -2.95 -0.06 0.00 0.66 0.00 0.00 57.16 54.90 1yua n GLU 4 Cb 0.60 -1.99 0.08 0.00 0.27 0.00 0.00 31.44 30.40 1yua n GLU 4 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1yua n VAL 5 N -0.05 0.00 -3.09 6.31 3.14 -1.26 -5.05 118.33 118.32 1yua n VAL 5 Ca 0.24 -1.18 -0.10 0.00 -2.96 0.00 0.00 64.34 60.34 1yua n VAL 5 Cb 0.99 0.98 0.01 0.00 -1.06 0.00 0.00 33.84 34.76 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 -0.30 -2.59 -0.77 1.55 0.00 -1.26 -4.86 120.51 112.26 1yua n ALA 6 Ca -0.09 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.40 1yua n ALA 6 Cb 0.76 -1.50 0.13 0.00 0.00 0.00 0.00 19.45 18.84 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 0.58 -0.81 -0.16 0.00 -0.02 -1.26 -4.94 135.00 128.40 1yua n PRO 7 Ca -0.00 -0.21 -0.05 0.00 -2.02 0.00 0.00 63.50 61.21 1yua n PRO 7 Cb 0.41 -1.67 0.05 0.00 -0.02 0.00 0.00 33.50 32.27 1yua n PRO 7 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1yua n PRO 8 N -1.27 -0.62 -2.91 0.52 -0.02 -1.26 -4.57 135.00 124.87 1yua n PRO 8 Ca 0.03 -0.26 -0.02 0.00 -2.02 0.00 0.00 63.50 61.23 1yua n PRO 8 Cb 0.59 -0.49 -0.01 0.00 -0.02 0.00 0.00 33.50 33.56 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 -1.25 -2.40 -4.42 -0.52 0.00 -1.26 -4.96 118.16 103.34 1yua n LYS 9 Ca 0.02 2.04 -0.34 0.00 0.00 0.00 0.00 58.31 60.04 1yua n LYS 9 Cb 0.11 -2.80 -0.10 0.00 0.00 0.00 0.00 35.03 32.24 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 -0.65 2.83 -0.42 1.64 8.01 -1.26 -5.03 118.70 123.81 1yua s GLU 10 Ca -0.09 -0.53 0.10 0.00 0.01 0.00 0.00 54.97 54.47 1yua s GLU 10 Cb 0.01 -2.68 0.35 0.00 -4.31 0.00 0.00 34.13 27.50 1yua s GLU 10 CO 0.35 0.66 0.80 -0.25 0.01 0.00 0.00 175.26 176.84 1yua n ASP 11 N 1.89 1.84 -2.46 -0.19 8.00 -1.26 -5.08 116.55 119.29 1yua n ASP 11 Ca -0.17 -3.18 0.00 0.00 0.71 0.00 0.00 54.79 52.16 1yua n ASP 11 Cb 0.53 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1yua n ASP 11 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1yua n PRO 12 N 0.12 2.32 -3.71 -0.24 -0.04 -1.26 -5.00 135.00 127.18 1yua n PRO 12 Ca 0.26 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.40 1yua n PRO 12 Cb 0.60 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.98 1yua n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1yua n VAL 13 N 0.00 2.48 -1.58 0.52 0.31 -1.11 -4.73 118.33 114.22 1yua n VAL 13 Ca 0.00 -5.05 -0.54 0.00 -0.01 0.00 0.00 64.34 58.74 1yua n VAL 13 Cb 0.00 -2.27 -0.07 0.00 -0.91 0.00 0.00 33.84 30.59 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 2.02 0.87 -2.47 5.55 -0.02 -1.26 -1.55 135.00 138.15 1yua n PRO 14 Ca 0.22 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.75 1yua n PRO 14 Cb 0.36 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.53 4.67 -0.08 2.45 4.77 0.20 -4.85 117.00 126.70 1yua n LEU 15 Ca 0.20 -5.18 0.18 0.00 -0.03 0.00 0.00 56.01 51.17 1yua n LEU 15 Cb 0.16 -0.44 0.27 0.00 -2.33 0.00 0.00 43.42 41.07 1yua n LEU 15 CO 0.64 2.23 0.95 -2.65 -1.33 0.00 0.00 177.39 177.23 1yua n PRO 16 N -0.48 0.01 0.00 3.23 -0.02 -1.26 0.81 135.00 137.29 1yua n PRO 16 Ca 0.39 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 1yua n PRO 16 Cb 0.67 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1yua n PRO 16 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1yua n GLU 17 N -2.68 0.97 -3.17 -0.52 -0.58 -1.26 -4.19 120.64 109.21 1yua n GLU 17 Ca 0.15 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.74 1yua n GLU 17 Cb 1.13 -1.42 -0.05 0.00 -0.57 0.00 0.00 31.44 30.53 1yua n GLU 17 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1yua s LEU 18 N 0.00 -0.18 0.04 -4.62 2.96 0.24 -5.05 118.68 112.07 1yua s LEU 18 Ca 0.00 -2.02 -0.30 0.00 -0.22 0.00 0.00 54.13 51.59 1yua s LEU 18 Cb 0.00 0.80 -0.07 0.00 0.50 0.00 0.00 46.19 47.41 1yua s LEU 18 CO 0.00 -0.16 1.56 -2.16 -1.32 0.00 0.00 176.35 174.27 1yua s PRO 19 N 0.87 4.23 0.04 0.98 0.04 -1.26 -2.40 135.00 137.50 1yua s PRO 19 Ca 0.26 2.19 -0.26 0.00 0.04 0.00 0.00 61.00 63.23 1yua s PRO 19 Cb -0.04 -3.60 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 1yua s PRO 19 CO -0.09 -0.68 0.82 0.00 0.04 0.00 0.00 177.00 177.09 1yua n GLU 21 N 2.98 -1.63 -3.46 0.00 2.13 -1.26 -1.35 120.64 118.05 1yua n GLU 21 Ca -0.01 0.83 -0.24 0.00 0.66 0.00 0.00 57.16 58.40 1yua n GLU 21 Cb 0.50 -5.13 0.06 0.00 0.27 0.00 0.00 31.44 27.14 1yua n GLU 21 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yua n LYS 22 N -1.03 -6.64 -0.30 5.31 3.00 -1.22 -4.98 118.16 112.30 1yua n LYS 22 Ca -0.11 0.81 0.00 0.00 -0.00 0.00 0.00 58.31 59.01 1yua n LYS 22 Cb 0.54 -5.79 0.00 0.00 0.00 0.00 0.00 35.03 29.78 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 -2.83 1.98 0.00 3.14 2.88 -0.46 -4.98 113.62 113.35 1yua n SER 23 Ca -0.02 -0.15 0.14 0.00 -1.33 0.00 0.00 58.87 57.51 1yua n SER 23 Cb 0.57 0.00 0.84 0.00 -0.75 0.00 0.00 64.21 64.87 1yua n SER 23 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1yua n ASP 24 N -0.15 0.00 -4.87 -3.46 5.75 -1.26 -4.58 116.55 107.98 1yua n ASP 24 Ca 0.00 -0.90 -0.31 0.00 -0.01 0.00 0.00 54.79 53.58 1yua n ASP 24 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1yua n ASP 24 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yua s ALA 25 N -2.00 3.24 0.00 2.12 0.00 -1.26 -4.95 121.76 118.90 1yua s ALA 25 Ca 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1yua s ALA 25 Cb 0.19 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1yua s ALA 25 CO 0.33 -0.17 0.00 2.48 0.00 0.00 0.00 175.76 178.40 1yua n TYR 26 N -1.59 0.00 -3.55 0.00 0.18 -1.26 -1.49 117.16 109.44 1yua n TYR 26 Ca 0.04 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.43 1yua n TYR 26 Cb 0.54 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.45 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 -0.85 3.92 0.04 -3.48 0.40 -1.01 -0.82 117.98 116.18 1yua s PHE 27 Ca 0.00 -2.83 -0.30 0.00 -0.60 0.00 0.00 56.93 53.20 1yua s PHE 27 Cb 0.00 -3.43 -0.04 0.00 0.51 0.00 0.00 43.02 40.06 1yua s PHE 27 CO 0.00 -0.82 1.05 0.14 0.70 0.00 0.00 175.22 176.29 1yua s VAL 28 N -1.05 4.53 -0.52 -0.44 -7.23 -0.50 -0.62 120.40 114.57 1yua s VAL 28 Ca 0.26 1.86 -0.28 0.00 -1.81 0.00 0.00 61.98 62.01 1yua s VAL 28 Cb -0.10 -4.19 -0.00 0.00 0.56 0.00 0.00 36.38 32.65 1yua s VAL 28 CO -0.10 0.17 1.63 -0.22 -0.31 0.00 0.00 175.10 176.27 1yua s LEU 29 N 0.84 3.40 0.40 1.32 2.96 -0.59 -1.05 118.68 125.95 1yua s LEU 29 Ca 0.53 0.55 0.03 0.00 -0.22 0.00 0.00 54.13 55.03 1yua s LEU 29 Cb -0.24 -3.03 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 1yua s LEU 29 CO 0.29 -1.89 0.57 -0.13 -1.32 0.00 0.00 176.35 173.87 1yua s ARG 30 N 5.96 3.08 -0.23 1.98 0.52 0.71 -2.74 118.95 128.22 1yua s ARG 30 Ca 0.63 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 55.09 1yua s ARG 30 Cb -0.14 -2.69 0.06 0.00 0.52 0.00 0.00 34.95 32.70 1yua s ARG 30 CO 0.26 -0.12 -0.06 0.16 0.02 0.00 0.00 175.30 175.57 1yua s ASP 31 N -4.20 3.74 0.00 0.23 -4.77 -1.26 -0.83 116.67 109.58 1yua s ASP 31 Ca 0.47 -1.12 0.00 0.00 -3.30 0.00 0.00 52.55 48.60 1yua s ASP 31 Cb -0.10 -1.16 0.00 0.00 -1.09 0.00 0.00 42.92 40.57 1yua s ASP 31 CO 0.35 -0.22 0.00 0.61 0.70 0.00 0.00 175.17 176.60 1yua n GLY 32 N 4.69 -0.90 5.55 2.12 0.00 -1.25 -4.94 105.19 110.45 1yua n GLY 32 Ca -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 0.00 -2.46 4.61 0.00 -1.26 -1.94 120.51 119.46 1yua n ALA 33 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1yua n ALA 33 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 5.04 2.60 0.00 0.00 0.00 -1.26 -5.11 120.51 121.78 1yua n ALA 34 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.33 1yua n ALA 34 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.29 4.26 3.13 0.00 0.00 -0.82 -4.84 105.19 107.21 1yua n GLY 35 Ca 0.01 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 1yua n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1yua n VAL 36 N -1.78 0.00 -3.98 1.61 3.14 -1.26 -3.90 118.33 112.15 1yua n VAL 36 Ca 0.00 -0.22 0.02 0.00 -2.96 0.00 0.00 64.34 61.18 1yua n VAL 36 Cb 0.00 -0.25 0.01 0.00 -1.06 0.00 0.00 33.84 32.54 1yua n VAL 36 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 1yua n PHE 37 N -3.54 -0.10 -4.01 1.45 -1.74 -0.01 -4.65 117.46 104.86 1yua n PHE 37 Ca -0.00 -0.27 -0.31 0.00 -0.56 0.00 0.00 57.45 56.31 1yua n PHE 37 Cb 0.65 0.12 -0.15 0.00 1.52 0.00 0.00 39.48 41.61 1yua n PHE 37 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1yua s LEU 38 N 0.00 4.67 0.37 5.98 1.02 -1.22 -0.21 118.68 129.29 1yua s LEU 38 Ca 0.15 -2.15 -0.06 0.00 0.02 0.00 0.00 54.13 52.09 1yua s LEU 38 Cb -0.00 -1.60 -0.05 0.00 0.02 0.00 0.00 46.19 44.56 1yua s LEU 38 CO -0.01 -0.38 0.66 0.00 0.02 0.00 0.00 176.35 176.64 1yua s ALA 39 N 0.91 3.51 0.61 4.21 0.00 -0.22 -3.88 121.76 126.92 1yua s ALA 39 Ca 0.11 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 1yua s ALA 39 Cb -0.19 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1yua s ALA 39 CO -0.09 0.02 1.08 0.00 0.00 0.00 0.00 175.76 176.77 1yua s ALA 40 N -2.32 2.65 -2.00 0.00 0.00 -1.26 -1.40 121.76 117.43 1yua s ALA 40 Ca 0.46 0.46 0.18 0.00 0.00 0.00 0.00 51.96 53.06 1yua s ALA 40 Cb -0.10 -3.26 1.08 0.00 0.00 0.00 0.00 23.12 20.83 1yua s ALA 40 CO 0.34 -0.95 1.68 -1.71 0.00 0.00 0.00 175.76 175.12 1yua n ASN 41 N -2.13 0.00 -0.06 0.00 5.15 -0.00 -2.87 115.26 115.35 1yua n ASN 41 Ca 0.09 -1.40 0.01 0.00 -0.60 0.00 0.00 54.58 52.68 1yua n ASN 41 Cb 0.52 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.78 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 -0.79 0.00 -1.23 -0.44 -2.24 -1.26 -4.82 114.28 103.50 1yua n THR 42 Ca 0.14 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 1yua n THR 42 Cb 0.06 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.07 -1.07 1.24 4.78 -0.00 -1.14 -0.68 117.46 120.66 1yua n PHE 43 Ca 0.01 0.75 0.14 0.00 -0.00 0.00 0.00 57.45 58.34 1yua n PHE 43 Cb 0.04 -1.71 0.68 0.00 -0.00 0.00 0.00 39.48 38.49 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 1.04 0.32 -0.37 -7.13 -0.04 -1.26 -4.80 135.00 122.75 1yua n PRO 44 Ca 0.14 0.03 0.37 0.00 -0.04 0.00 0.00 63.50 64.00 1yua n PRO 44 Cb 0.28 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.00 0.00 -3.80 0.54 3.64 -1.32 -3.15 116.57 112.49 1yua h LYS 45 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 1yua h LYS 45 Cb 0.30 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.72 1yua h LYS 45 CO 0.00 0.00 -0.75 -1.12 -2.27 0.00 0.00 179.45 175.31 1yua s SER 46 N -4.05 4.10 -0.23 4.20 0.01 -1.25 -4.97 113.70 111.50 1yua s SER 46 Ca -0.04 -1.67 0.01 0.00 1.31 0.00 0.00 55.95 55.57 1yua s SER 46 Cb 0.20 -1.00 0.30 0.00 0.21 0.00 0.00 66.02 65.73 1yua s SER 46 CO 0.68 -0.39 1.54 0.54 0.41 0.00 0.00 173.24 176.02 1yua n ARG 47 N 4.74 1.64 -1.29 12.44 1.74 -1.19 -4.02 116.66 130.72 1yua n ARG 47 Ca -0.02 -1.47 -0.21 0.00 -0.77 0.00 0.00 57.85 55.38 1yua n ARG 47 Cb 0.42 -1.58 -0.10 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 -0.18 2.23 -4.10 5.56 1.02 -1.26 -4.90 120.64 119.01 1yua n GLU 48 Ca 0.29 -1.80 -0.31 0.00 -0.02 0.00 0.00 57.16 55.31 1yua n GLU 48 Cb 0.98 -2.07 -0.07 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.99 4.48 0.00 2.62 -4.23 -1.26 -4.58 115.64 111.68 1yua s THR 49 Ca 0.61 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1yua s THR 49 Cb 0.36 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 71.08 1yua s THR 49 CO -0.13 0.21 0.00 0.54 -0.54 0.00 0.00 174.62 174.70 1yua n ARG 50 N 0.76 0.00 -1.50 3.99 1.74 -1.25 -4.95 116.66 115.45 1yua n ARG 50 Ca -0.11 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.52 1yua n ARG 50 Cb 0.52 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.94 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 -0.82 -1.39 -2.31 7.54 0.00 -1.26 -3.41 120.51 118.85 1yua n ALA 51 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 1yua n ALA 51 Cb 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.37 4.53 0.36 0.00 0.04 -1.26 -4.48 135.00 132.81 1yua s PRO 52 Ca 0.61 1.69 -0.28 0.00 0.04 0.00 0.00 61.00 63.07 1yua s PRO 52 Cb -0.75 -3.33 -0.12 0.00 0.04 0.00 0.00 34.50 30.33 1yua s PRO 52 CO 0.58 -0.07 1.28 1.28 0.04 0.00 0.00 177.00 180.11 1yua n LEU 53 N 3.23 3.62 -0.24 -3.56 4.77 -1.26 -2.07 117.00 121.49 1yua n LEU 53 Ca 0.06 1.19 0.05 0.00 -0.03 0.00 0.00 56.01 57.27 1yua n LEU 53 Cb 0.47 -1.49 0.29 0.00 -2.33 0.00 0.00 43.42 40.36 1yua n LEU 53 CO 0.54 -0.52 1.23 0.58 -1.33 0.00 0.00 177.39 177.89 1yua h VAL 54 N 2.46 1.06 -0.16 4.08 2.07 -1.69 0.43 116.25 124.50 1yua h VAL 54 Ca -0.46 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 66.61 1yua h VAL 54 Cb 1.29 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1yua h VAL 54 CO 0.62 0.17 -0.46 1.05 0.02 0.00 0.00 177.57 178.96 1yua h GLU 55 N 0.92 0.41 0.00 1.57 4.11 -1.82 -2.28 114.58 117.48 1yua h GLU 55 Ca 0.34 -0.22 -0.05 0.00 0.07 0.00 0.00 59.36 59.50 1yua h GLU 55 Cb 0.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1yua h GLU 55 CO -0.12 0.79 -0.25 1.49 0.07 0.00 0.00 179.01 181.00 1yua h GLU 56 N 0.33 0.00 -0.12 1.06 4.57 -1.39 -2.72 114.58 116.32 1yua h GLU 56 Ca 0.02 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.97 1yua h GLU 56 Cb 0.94 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1yua h GLU 56 CO 0.08 0.25 -0.83 1.25 -1.18 0.00 0.00 179.01 178.58 1yua h LEU 57 N 0.00 0.89 -0.22 1.64 6.46 -0.44 -0.15 115.31 123.48 1yua h LEU 57 Ca -0.00 -0.61 -0.02 0.00 -0.12 0.00 0.00 57.88 57.13 1yua h LEU 57 Cb 0.74 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1yua h LEU 57 CO 0.03 1.41 0.06 0.22 -0.62 0.00 0.00 178.44 179.54 1yua h TYR 58 N 0.48 0.37 0.00 1.25 5.03 -1.23 2.06 116.97 124.94 1yua h TYR 58 Ca -0.07 -0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.10 1yua h TYR 58 Cb 1.46 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.62 1yua h TYR 58 CO 0.08 0.45 -0.47 -0.09 -1.32 0.00 0.00 178.16 176.81 1yua h ARG 59 N 0.18 0.00 -0.55 1.82 2.43 -1.52 -2.66 114.38 114.08 1yua h ARG 59 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1yua h ARG 59 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1yua h ARG 59 CO -0.00 0.47 0.00 1.19 -1.51 0.00 0.00 179.97 180.12 1yua n PHE 60 N -3.90 1.13 -0.08 2.20 3.72 -0.07 -4.44 117.46 116.03 1yua n PHE 60 Ca -0.01 -0.61 -0.09 0.00 -0.05 0.00 0.00 57.45 56.69 1yua n PHE 60 Cb 0.50 -0.17 0.06 0.00 -0.94 0.00 0.00 39.48 38.93 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 3.41 0.78 0.00 -1.08 1.12 0.37 -0.99 114.38 117.98 1yua h ARG 61 Ca 0.00 -0.36 0.00 0.00 -1.11 0.00 0.00 59.98 58.51 1yua h ARG 61 Cb 1.24 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.18 1yua h ARG 61 CO 0.15 0.98 0.00 -0.40 -3.11 0.00 0.00 179.97 177.59 1yua n ASP 62 N -4.08 0.00 0.00 -3.80 5.75 -1.26 -2.44 116.55 110.72 1yua n ASP 62 Ca -0.01 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.40 1yua n ASP 62 Cb 0.48 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1yua n ASP 62 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1yua n ARG 63 N -1.12 0.14 -2.72 0.11 0.63 -0.80 -5.05 116.66 107.85 1yua n ARG 63 Ca 0.13 -0.70 -0.21 0.00 -0.92 0.00 0.00 57.85 56.15 1yua n ARG 63 Cb 0.11 -0.93 0.03 0.00 0.45 0.00 0.00 32.46 32.12 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 -0.25 3.36 0.00 6.15 2.34 -0.44 -4.92 118.68 124.92 1yua s LEU 64 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 54.13 54.15 1yua s LEU 64 Cb 0.00 -2.87 0.00 0.00 -0.56 0.00 0.00 46.19 42.76 1yua s LEU 64 CO 0.00 -1.05 0.03 -0.81 -1.06 0.00 0.00 176.35 173.46 1yua n PRO 65 N -2.25 0.00 0.00 1.48 -0.04 -1.26 -5.01 135.00 127.92 1yua n PRO 65 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1yua n PRO 65 Cb 0.59 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 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 -0.08 0.00 0.00 0.54 2.13 -1.26 -4.94 120.64 117.03 1yua n GLU 66 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1yua n GLU 66 Cb 0.00 0.00 0.21 0.00 0.27 0.00 0.00 31.44 31.92 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 -0.01 0.22 -0.09 5.31 5.02 -1.26 -1.63 118.16 125.72 1yua n LYS 67 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1yua n LYS 67 Cb 0.00 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.59 1yua n LYS 67 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1yua n LEU 68 N -1.00 1.85 0.44 -0.35 4.32 -1.26 -4.80 117.00 116.20 1yua n LEU 68 Ca 0.05 -2.35 -0.19 0.00 -0.02 0.00 0.00 56.01 53.50 1yua n LEU 68 Cb 0.02 -0.23 -0.09 0.00 -1.62 0.00 0.00 43.42 41.50 1yua n LEU 68 CO 0.04 0.55 0.56 -0.09 -1.22 0.00 0.00 177.39 177.24 1yua h ARG 69 N 0.00 -1.06 -1.08 3.23 9.65 -1.70 -1.24 114.38 122.18 1yua h ARG 69 Ca 0.00 0.07 0.31 0.00 -1.10 0.00 0.00 59.98 59.27 1yua h ARG 69 Cb 0.89 0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 29.67 1yua h ARG 69 CO 0.00 -0.70 1.03 0.10 2.80 0.00 0.00 179.97 183.20 1yua h TYR 70 N -1.15 0.00 0.15 2.20 -0.00 -1.87 0.86 116.97 117.16 1yua h TYR 70 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.41 1yua h TYR 70 Cb 0.85 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.60 1yua h TYR 70 CO -0.01 0.00 -0.92 -0.07 -0.00 0.00 0.00 178.16 177.16 1yua h LEU 71 N 0.00 0.49 -0.64 0.10 3.38 -1.65 -3.03 115.31 113.97 1yua h LEU 71 Ca 0.51 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1yua h LEU 71 Cb 2.57 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 43.16 1yua h LEU 71 CO -0.01 1.44 0.00 0.00 0.09 0.00 0.00 178.44 179.97 1yua n ALA 72 N -2.70 1.28 0.01 1.53 0.00 0.29 -1.47 120.51 119.45 1yua n ALA 72 Ca -0.15 0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1yua n ALA 72 Cb 0.85 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.93 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 0.17 -2.24 0.00 5.19 -1.15 -3.41 116.42 114.98 1yua h ASP 73 Ca 0.00 -0.32 -0.48 0.00 -0.62 0.00 0.00 57.03 55.62 1yua h ASP 73 Cb 0.13 -0.05 0.24 0.00 0.18 0.00 0.00 39.33 39.82 1yua h ASP 73 CO 0.00 1.28 -1.32 0.00 -3.12 0.00 0.00 179.24 176.08 1yua n ALA 74 N -2.66 -4.28 -1.59 3.45 0.00 -0.54 -4.90 120.51 110.00 1yua n ALA 74 Ca -0.19 -1.19 -0.34 0.00 0.00 0.00 0.00 53.44 51.72 1yua n ALA 74 Cb 1.04 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 19.11 1yua n ALA 74 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yua s PRO 75 N -3.18 2.89 -0.29 0.00 0.04 -1.26 -4.94 135.00 128.26 1yua s PRO 75 Ca 0.52 1.53 0.12 0.00 0.04 0.00 0.00 61.00 63.22 1yua s PRO 75 Cb -0.10 -1.95 0.47 0.00 0.04 0.00 0.00 34.50 32.97 1yua s PRO 75 CO 0.67 -1.20 1.15 1.04 0.04 0.00 0.00 177.00 178.70 1yua n GLN 76 N -2.07 2.94 0.00 4.56 3.00 -1.26 -4.68 117.38 119.87 1yua n GLN 76 Ca 0.11 -3.95 0.00 0.00 -0.01 0.00 0.00 57.00 53.15 1yua n GLN 76 Cb 0.51 -2.04 0.00 0.00 0.00 0.00 0.00 30.24 28.72 1yua n GLN 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yua n GLN 77 N -0.64 0.00 -0.07 -1.09 10.64 -1.26 -2.09 117.38 122.87 1yua n GLN 77 Ca 0.31 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.49 1yua n GLN 77 Cb 0.90 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 30.27 1yua n GLN 77 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1yua n ASP 78 N 0.00 -0.39 0.16 2.61 8.00 -1.26 -2.05 116.55 123.62 1yua n ASP 78 Ca 0.00 0.06 0.07 0.00 0.71 0.00 0.00 54.79 55.63 1yua n ASP 78 Cb 0.00 -0.22 0.39 0.00 -0.02 0.00 0.00 41.12 41.27 1yua n ASP 78 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1yua n PRO 79 N -2.42 0.10 -0.03 -0.24 -0.02 -1.26 -2.74 135.00 128.40 1yua n PRO 79 Ca -0.00 0.58 -0.02 0.00 -2.02 0.00 0.00 63.50 62.04 1yua n PRO 79 Cb 0.03 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.44 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 -3.50 114.58 113.10 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 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 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 1.72 0.48 1.24 1.92 0.00 -1.08 -5.02 105.19 104.45 1yua n GLY 81 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 3.63 -1.72 1.61 3.02 -0.87 -5.01 115.26 115.91 1yua n ASN 82 Ca 0.00 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 1yua n ASN 82 Cb 0.00 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 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 0.95 -4.94 -3.93 3.52 5.02 -1.24 -3.31 118.16 114.22 1yua n LYS 83 Ca 0.20 3.68 -0.18 0.00 -2.02 0.00 0.00 58.31 59.99 1yua n LYS 83 Cb 0.66 -4.13 -0.16 0.00 -0.02 0.00 0.00 35.03 31.37 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 -3.43 0.22 0.48 -0.18 2.01 -0.89 -1.07 115.64 112.79 1yua s THR 84 Ca 0.00 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.15 1yua s THR 84 Cb 0.00 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.20 1yua s THR 84 CO 0.00 0.17 0.45 0.00 -0.69 0.00 0.00 174.62 174.54 1yua s MET 85 N 1.13 2.41 0.41 4.92 0.23 -1.02 -2.17 119.30 125.22 1yua s MET 85 Ca -0.08 -1.70 -0.10 0.00 -1.03 0.00 0.00 55.69 52.77 1yua s MET 85 Cb -0.13 -2.33 -0.06 0.00 -1.53 0.00 0.00 34.83 30.77 1yua s MET 85 CO -0.02 -0.42 0.77 0.08 -2.03 0.00 0.00 175.02 173.39 1yua s VAL 86 N -2.60 4.79 0.06 5.16 1.01 -0.88 -1.31 120.40 126.64 1yua s VAL 86 Ca 0.46 0.60 0.01 0.00 0.00 0.00 0.00 61.98 63.04 1yua s VAL 86 Cb -0.03 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 1yua s VAL 86 CO 0.27 -0.53 0.06 0.54 0.00 0.00 0.00 175.10 175.44 1yua n ARG 87 N -1.33 0.09 -3.78 2.72 5.12 0.18 -4.38 116.66 115.27 1yua n ARG 87 Ca 0.02 -0.61 -0.13 0.00 -1.93 0.00 0.00 57.85 55.20 1yua n ARG 87 Cb 0.54 0.52 -0.14 0.00 -1.16 0.00 0.00 32.46 32.22 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 -2.76 -0.15 -0.11 -1.55 2.19 -1.26 -2.29 117.98 112.06 1yua s PHE 88 Ca 0.07 0.41 -0.01 0.00 0.33 0.00 0.00 56.93 57.74 1yua s PHE 88 Cb 0.00 -0.03 -0.02 0.00 -1.31 0.00 0.00 43.02 41.65 1yua s PHE 88 CO 0.05 -0.12 -0.08 -1.54 1.83 0.00 0.00 175.22 175.36 1yua s SER 89 N 0.71 4.46 0.18 6.13 1.04 -0.82 -4.89 113.70 120.51 1yua s SER 89 Ca -0.05 -0.15 0.23 0.00 0.48 0.00 0.00 55.95 56.46 1yua s SER 89 Cb -0.07 -1.44 0.12 0.00 0.10 0.00 0.00 66.02 64.73 1yua s SER 89 CO -0.03 0.25 1.15 0.03 0.98 0.00 0.00 173.24 175.62 1yua h ARG 90 N 6.09 0.00 0.00 4.02 3.08 -1.95 0.36 114.38 125.98 1yua h ARG 90 Ca -0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 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 0.56 0.00 -0.02 0.87 -1.07 0.00 0.00 179.97 180.31 1yua h LYS 91 N 0.00 0.00 0.00 0.04 6.56 -1.98 -3.10 116.57 118.09 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 0.91 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 1yua h LYS 91 CO 0.00 0.02 -0.01 0.25 -2.06 0.00 0.00 179.45 177.64 1yua n THR 92 N -3.33 0.00 -4.04 -0.16 -2.24 -1.24 -5.02 114.28 98.25 1yua n THR 92 Ca -0.02 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 1yua n THR 92 Cb 0.13 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 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 -2.20 -2.31 -0.78 5.02 0.07 -4.94 118.16 113.02 1yua n LYS 93 Ca 0.00 0.29 -0.03 0.00 -2.02 0.00 0.00 58.31 56.55 1yua n LYS 93 Cb 0.51 -4.06 -0.01 0.00 -0.02 0.00 0.00 35.03 31.44 1yua n LYS 93 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1yua n GLN 94 N -4.49 1.14 -4.90 1.97 6.02 -0.89 -4.95 117.38 111.27 1yua n GLN 94 Ca -0.28 -0.45 -0.33 0.00 -0.01 0.00 0.00 57.00 55.94 1yua n GLN 94 Cb 0.67 0.21 -0.14 0.00 1.02 0.00 0.00 30.24 32.00 1yua n GLN 94 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1yua s GLN 95 N -2.21 2.99 -0.03 -1.09 2.00 -1.26 -1.94 119.66 118.12 1yua s GLN 95 Ca 0.02 -0.73 0.01 0.00 -2.00 0.00 0.00 55.36 52.66 1yua s GLN 95 Cb 0.00 -2.47 0.02 0.00 0.80 0.00 0.00 33.01 31.35 1yua s GLN 95 CO 0.01 0.36 -0.04 1.52 -0.50 0.00 0.00 175.29 176.64 1yua s TYR 96 N -0.05 0.59 0.45 1.67 -0.85 -0.97 -1.78 117.35 116.42 1yua s TYR 96 Ca -0.04 -0.13 -0.03 0.00 -0.52 0.00 0.00 57.07 56.35 1yua s TYR 96 Cb -0.14 -0.52 -0.03 0.00 0.38 0.00 0.00 41.96 41.65 1yua s TYR 96 CO 0.04 -0.12 0.72 0.14 -1.52 0.00 0.00 175.55 174.81 1yua s VAL 97 N 0.62 4.79 -0.17 -3.49 -7.23 0.31 0.51 120.40 115.75 1yua s VAL 97 Ca -0.08 -0.04 -0.08 0.00 -1.81 0.00 0.00 61.98 59.97 1yua s VAL 97 Cb -0.11 -3.80 0.06 0.00 0.56 0.00 0.00 36.38 33.09 1yua s VAL 97 CO -0.00 -0.71 0.39 -0.55 -0.31 0.00 0.00 175.10 173.92 1yua s SER 98 N -4.11 -0.39 0.18 4.85 0.15 -0.43 0.19 113.70 114.14 1yua s SER 98 Ca 0.46 0.86 -0.32 0.00 0.70 0.00 0.00 55.95 57.65 1yua s SER 98 Cb -0.10 0.85 -0.11 0.00 -1.71 0.00 0.00 66.02 64.95 1yua s SER 98 CO 0.42 -0.20 1.71 -0.94 1.20 0.00 0.00 173.24 175.43 1yua s SER 99 N 1.69 6.43 -0.32 5.45 1.04 0.50 -2.42 113.70 126.08 1yua s SER 99 Ca -0.07 2.79 -0.00 0.00 0.48 0.00 0.00 55.95 59.15 1yua s SER 99 Cb -0.10 -2.59 0.10 0.00 0.10 0.00 0.00 66.02 63.54 1yua s SER 99 CO -0.12 -0.95 0.11 -1.61 0.98 0.00 0.00 173.24 171.65 1yua s GLU 100 N 1.44 0.77 -0.56 4.02 2.02 -0.23 -1.57 118.70 124.59 1yua s GLU 100 Ca 0.75 -1.17 -0.27 0.00 0.02 0.00 0.00 54.97 54.30 1yua s GLU 100 Cb -0.48 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.68 1yua s GLU 100 CO 0.32 -1.00 1.88 0.15 0.02 0.00 0.00 175.26 176.64 1yua s LYS 101 N 1.50 2.70 0.00 1.61 1.02 -1.24 -2.45 119.74 122.89 1yua s LYS 101 Ca 0.10 0.79 0.00 0.00 0.02 0.00 0.00 55.97 56.88 1yua s LYS 101 Cb -0.18 -4.37 0.00 0.00 -0.52 0.00 0.00 37.83 32.76 1yua s LYS 101 CO -0.23 -2.63 0.00 -3.47 -0.92 0.00 0.00 175.35 168.10 1yua n ASP 102 N 12.57 -2.68 -0.17 2.83 2.03 -1.26 -2.74 116.55 127.12 1yua n ASP 102 Ca 0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1yua n ASP 102 Cb 0.51 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 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 -1.63 1.05 0.36 0.27 0.00 -1.02 -4.99 105.19 99.23 1yua n GLY 103 Ca 0.00 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1yua n GLY 103 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yua n LYS 104 N -0.42 1.76 -3.24 1.61 2.85 -1.11 -5.03 118.16 114.58 1yua n LYS 104 Ca 0.00 -2.72 -0.17 0.00 -1.05 0.00 0.00 58.31 54.37 1yua n LYS 104 Cb 0.23 -1.61 0.02 0.00 -0.65 0.00 0.00 35.03 33.02 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 -1.16 -2.37 -1.00 0.58 0.00 -1.26 -4.81 120.51 110.48 1yua n ALA 105 Ca 0.18 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1yua n ALA 105 Cb 0.73 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.47 0.00 -1.91 0.00 -2.24 -0.61 -4.91 114.28 105.09 1yua n THR 106 Ca -0.02 0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.89 1yua n THR 106 Cb 0.52 -1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 67.66 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 0.37 0.65 3.29 3.38 0.00 -1.26 -5.06 105.19 106.57 1yua n GLY 107 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 2.64 -0.33 1.61 -0.00 -1.26 -4.16 118.94 117.45 1yua s TRP 108 Ca 0.00 -0.83 0.03 0.00 -0.00 0.00 0.00 56.10 55.29 1yua s TRP 108 Cb 0.00 -1.74 0.16 0.00 -0.00 0.00 0.00 33.47 31.89 1yua s TRP 108 CO 0.00 -0.30 0.40 -1.54 -0.00 0.00 0.00 176.95 175.51 1yua s SER 109 N 0.24 0.63 0.31 5.86 1.04 -1.26 -0.37 113.70 120.16 1yua s SER 109 Ca -0.13 -0.84 -0.08 0.00 0.48 0.00 0.00 55.95 55.38 1yua s SER 109 Cb -0.16 0.93 -0.06 0.00 0.10 0.00 0.00 66.02 66.83 1yua s SER 109 CO 0.07 -0.31 0.63 0.00 0.98 0.00 0.00 173.24 174.61 1yua s ALA 110 N 2.12 3.50 0.21 5.32 0.00 0.13 -1.73 121.76 131.31 1yua s ALA 110 Ca 0.12 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 51.86 1yua s ALA 110 Cb -0.13 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 1yua s ALA 110 CO -0.21 0.24 -0.22 -0.06 0.00 0.00 0.00 175.76 175.51 1yua s PHE 111 N -2.10 2.33 -0.46 0.00 0.40 -0.80 -0.53 117.98 116.82 1yua s PHE 111 Ca 0.48 -0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 56.32 1yua s PHE 111 Cb -0.11 -1.12 0.07 0.00 0.51 0.00 0.00 43.02 42.37 1yua s PHE 111 CO 0.27 0.54 0.37 -0.47 0.70 0.00 0.00 175.22 176.63 1yua s TYR 112 N -1.84 3.26 0.00 0.36 5.04 -0.74 0.71 117.35 124.15 1yua s TYR 112 Ca 0.23 -1.06 0.00 0.00 -2.44 0.00 0.00 57.07 53.80 1yua s TYR 112 Cb -0.07 -3.13 0.00 0.00 0.35 0.00 0.00 41.96 39.11 1yua s TYR 112 CO 0.11 -0.81 0.00 0.28 -1.34 0.00 0.00 175.55 173.79 1yua n VAL 113 N 5.14 0.00 -1.98 3.14 0.31 -0.52 -4.69 118.33 119.73 1yua n VAL 113 Ca -0.12 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.96 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 -1.81 -1.32 0.00 0.00 176.83 173.70 1yua s ASP 114 N -1.00 4.86 -0.87 4.52 1.01 -1.26 -2.88 116.67 121.05 1yua s ASP 114 Ca 0.00 -1.01 0.00 0.00 0.71 0.00 0.00 52.55 52.25 1yua s ASP 114 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1yua s ASP 114 CO 0.00 -3.12 0.00 0.61 0.21 0.00 0.00 175.17 172.87 1yua n GLY 115 N 6.41 -0.09 2.78 0.21 0.00 -1.26 -4.83 105.19 108.41 1yua n GLY 115 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 1yua n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yua s LYS 116 N -4.37 2.06 1.04 1.61 -0.14 -1.14 -5.11 119.74 113.69 1yua s LYS 116 Ca 0.00 -3.00 -0.18 0.00 -1.36 0.00 0.00 55.97 51.43 1yua s LYS 116 Cb 0.00 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.23 1yua s LYS 116 CO 0.00 -1.30 -0.23 0.91 -0.76 0.00 0.00 175.35 173.97 1yua n TRP 117 N 2.26 -1.91 -4.03 3.18 7.02 -1.25 -1.44 117.44 121.27 1yua n TRP 117 Ca 0.21 0.23 -0.13 0.00 -1.02 0.00 0.00 57.50 56.79 1yua n TRP 117 Cb 0.38 -1.58 -0.03 0.00 -2.42 0.00 0.00 31.31 27.65 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 -2.21 0.00 -0.15 -0.99 -7.23 0.22 -4.69 120.40 105.35 1yua s VAL 118 Ca 0.51 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1yua s VAL 118 Cb -0.12 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.28 1yua s VAL 118 CO 0.69 0.00 0.02 -1.61 -0.31 0.00 0.00 175.10 173.89 1yua s GLU 119 N -3.13 0.64 -0.52 4.82 8.01 -1.26 -1.91 118.70 125.36 1yua s GLU 119 Ca 0.27 -0.21 -0.01 0.00 0.01 0.00 0.00 54.97 55.03 1yua s GLU 119 Cb -0.01 -1.66 0.13 0.00 -4.31 0.00 0.00 34.13 28.28 1yua s GLU 119 CO 0.17 -0.51 0.30 0.20 0.01 0.00 0.00 175.26 175.43 1yua s GLY 120 N 1.91 2.29 -0.20 -1.39 0.00 -0.71 -4.98 107.32 104.24 1yua s GLY 120 Ca 0.02 -2.98 -0.29 0.00 0.00 0.00 0.00 44.72 41.47 1yua s GLY 120 CO -0.07 1.05 1.96 1.25 0.00 0.00 0.00 173.10 177.29 1yua s LYS 121 N 0.36 3.48 0.00 2.90 2.20 -1.26 -4.18 119.74 123.23 1yua s LYS 121 Ca 0.14 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 1yua s LYS 121 Cb -0.22 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.87 1yua s LYS 121 CO -0.04 -1.70 0.00 1.63 -0.36 0.00 0.00 175.35 174.89